N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

C16H23N7O — CID 126888174

IUPACN-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nncn3C3CC3)CC2)ncn1
InChIInChI=1S/C16H23N7O/c1-24-16-8-14(17-10-18-16)20-12-4-6-22(7-5-12)9-15-21-19-11-23(15)13-2-3-13/h8,10-13H,2-7,9H2,1H3,(H,17,18,20)
InChIKeyDMHKSACVHIUMDX-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.49
Rot. Bonds6

About N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888174) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888174
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3nncn3C3CC3)CC2)ncn1
InChIInChI=1S/C16H23N7O/c1-24-16-8-14(17-10-18-16)20-12-4-6-22(7-5-12)9-15-21-19-11-23(15)13-2-3-13/h8,10-13H,2-7,9H2,1H3,(H,17,18,20)
InChIKeyDMHKSACVHIUMDX-UHFFFAOYSA-N
XLogP1.49
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine with MolForge

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Related Compounds

6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
6-methoxy-N-[1-[(2-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888112
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888206
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
1-[2-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]ethyl]piperidin-2-one
CID 126888227
4-N-(6-methoxypyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66318521
6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 66319414

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888174) is N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(Cc3nncn3C3CC3)CC2)ncn1.
What is the InChIKey of N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is DMHKSACVHIUMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-24-16-8-14(17-10-18-16)20-12-4-6-22(7-5-12)9-15-21-19-11-23(15)13-2-3-13/h8,10-13H,2-7,9H2,1H3,(H,17,18,20).
What are the key properties of N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).