6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride

C16H25Cl2N7 — CID 154902164

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1.Cl.Cl
InChIInChI=1S/C16H23N7.2ClH/c1-8(15-19-9(2)22-23-15)18-14-7-13(11-5-12(17)6-11)20-16(21-14)10-3-4-10;;/h7-8,10-12H,3-6,17H2,1-2H3,(H,18,20,21)(H,19,22,23);2*1H
InChIKeyVWAHOZGZPUPGNS-UHFFFAOYSA-N
MW386.33 g/mol
LogP3.00
Rot. Bonds5

About 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride (PubChem CID 154902164) has the molecular formula C16H25Cl2N7 and a molecular weight of 386.33 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride
PubChem CID154902164
Molecular FormulaC16H25Cl2N7
Molecular Weight386.33 g/mol
Exact Mass385.15
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride
SMILESCc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1.Cl.Cl
InChIInChI=1S/C16H23N7.2ClH/c1-8(15-19-9(2)22-23-15)18-14-7-13(11-5-12(17)6-11)20-16(21-14)10-3-4-10;;/h7-8,10-12H,3-6,17H2,1-2H3,(H,18,20,21)(H,19,22,23);2*1H
InChIKeyVWAHOZGZPUPGNS-UHFFFAOYSA-N
XLogP3.00
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride with MolForge

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Related Compounds

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 91777019
6-(3-aminocyclobutyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154903485
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324400
2-[2-[[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]amino]ethyl]-4-methyl-1H-pyrimidin-6-one
CID 136664988
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902388
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
6-(3-aminocyclobutyl)-N-(2-cyclohexylsulfanylethyl)-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901879
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
N'-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-N-pyridin-3-ylethane-1,2-diamine;dihydrochloride
CID 154902435
6-(3-aminocyclobutyl)-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901707

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride (CID 154902164) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride is Cc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
The InChIKey is VWAHOZGZPUPGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7.2ClH/c1-8(15-19-9(2)22-23-15)18-14-7-13(11-5-12(17)6-11)20-16(21-14)10-3-4-10;;/h7-8,10-12H,3-6,17H2,1-2H3,(H,18,20,21)(H,19,22,23);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).