6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride

C14H23Cl2N7O — CID 154902697

IUPAC6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCOCc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1.Cl.Cl
InChIInChI=1S/C14H21N7O.2ClH/c1-22-7-11-4-10(20-21-11)6-17-13-5-12(18-14(16)19-13)8-2-9(15)3-8;;/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,20,21)(H3,16,17,18,19);2*1H
InChIKeyZAEHQAYEZJPTHD-UHFFFAOYSA-N
MW376.29 g/mol
LogP1.59
Rot. Bonds6

About 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902697) has the molecular formula C14H23Cl2N7O and a molecular weight of 376.29 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902697
Molecular FormulaC14H23Cl2N7O
Molecular Weight376.29 g/mol
Exact Mass375.13
IUPAC Name6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCOCc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1.Cl.Cl
InChIInChI=1S/C14H21N7O.2ClH/c1-22-7-11-4-10(20-21-11)6-17-13-5-12(18-14(16)19-13)8-2-9(15)3-8;;/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,20,21)(H3,16,17,18,19);2*1H
InChIKeyZAEHQAYEZJPTHD-UHFFFAOYSA-N
XLogP1.59
TPSA127.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 51.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109
6-(3-aminocyclobutyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 91763873
6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91798368
6-(3-aminocyclobutyl)-2-(methoxymethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902022
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
CID 154902680
6-(3-aminocyclobutyl)-4-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyrimidine-2,4-diamine;hydrochloride
CID 154901868
6-(3-aminocyclobutyl)-4-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91765644
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154902697) is 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride is COCc1cc(CNc2cc(C3CC(N)C3)nc(N)n2)[nH]n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is ZAEHQAYEZJPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O.2ClH/c1-22-7-11-4-10(20-21-11)6-17-13-5-12(18-14(16)19-13)8-2-9(15)3-8;;/h4-5,8-9H,2-3,6-7,15H2,1H3,(H,20,21)(H3,16,17,18,19);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 376.29 g/mol, XLogP of 1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).