6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride

C18H28Cl2N6O — CID 154902085

IUPAC6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1.Cl.Cl
InChIInChI=1S/C18H26N6O.2ClH/c1-25-10-17-22-15(13-7-14(19)8-13)9-16(23-17)20-11-18(3-4-18)12-24-6-2-5-21-24;;/h2,5-6,9,13-14H,3-4,7-8,10-12,19H2,1H3,(H,20,22,23);2*1H
InChIKeyKLKUDAGNACIBKD-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.76
Rot. Bonds8

About 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154902085) has the molecular formula C18H28Cl2N6O and a molecular weight of 415.37 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154902085
Molecular FormulaC18H28Cl2N6O
Molecular Weight415.37 g/mol
Exact Mass414.17
IUPAC Name6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride
SMILESCOCc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1.Cl.Cl
InChIInChI=1S/C18H26N6O.2ClH/c1-25-10-17-22-15(13-7-14(19)8-13)9-16(23-17)20-11-18(3-4-18)12-24-6-2-5-21-24;;/h2,5-6,9,13-14H,3-4,7-8,10-12,19H2,1H3,(H,20,22,23);2*1H
InChIKeyKLKUDAGNACIBKD-UHFFFAOYSA-N
XLogP2.76
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-4-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidine-2,4-diamine
CID 91769542
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902019
6-(3-aminocyclobutyl)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91760895
6-(3-aminocyclobutyl)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154901836
N-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 91790618
6-(3-aminocyclobutyl)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine;dihydrochloride
CID 154902571
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154902600
3-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one;dihydrochloride
CID 154902261
4-[2-[[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]amino]ethyl]-2-methyl-1H-pyrimidin-6-one;dihydrochloride
CID 154902596
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
2-[1-[[[6-amino-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopropyl]ethanol
CID 114759552
6-(3-aminocyclobutyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(methoxymethyl)pyrimidin-4-amine
CID 91786557

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride (CID 154902085) is 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride is COCc1nc(NCC2(Cn3cccn3)CC2)cc(C2CC(N)C2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is KLKUDAGNACIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.2ClH/c1-25-10-17-22-15(13-7-14(19)8-13)9-16(23-17)20-11-18(3-4-18)12-24-6-2-5-21-24;;/h2,5-6,9,13-14H,3-4,7-8,10-12,19H2,1H3,(H,20,22,23);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).