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

C16H23N7 — CID 91777019

IUPAC6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1
InChIInChI=1S/C16H23N7/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)
InChIKeyVRSQYVPQLNHDOZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.16
Rot. Bonds5

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

6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 91777019) has the molecular formula C16H23N7 and a molecular weight of 313.41 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.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID91777019
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1
InChIInChI=1S/C16H23N7/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)
InChIKeyVRSQYVPQLNHDOZ-UHFFFAOYSA-N
XLogP2.16
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.16
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 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;dihydrochloride
CID 154902164
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-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 91795318
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901872
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-(4,5-dimethylimidazol-1-yl)ethyl]pyrimidin-4-amine
CID 91790373
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 91761753
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902388
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893656
6-(3-aminocyclobutyl)-N-(2-cyclohexylsulfanylethyl)-2-cyclopropylpyrimidin-4-amine;dihydrochloride
CID 154901879

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?
The IUPAC name of 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 91777019) is 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
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?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(C(C)Nc2cc(C3CC(N)C3)nc(C3CC3)n2)n[nH]1.
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?
The InChIKey is VRSQYVPQLNHDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/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).
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?
6-(3-aminocyclobutyl)-2-cyclopropyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 2.16, 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 is sourced from PubChem (CID 91777019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).