N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C17H25N7O — CID 126891264

IUPACN-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C17H25N7O/c1-22-15(10-20-21-22)11-23-7-5-14(6-8-23)24(13-3-4-13)16-9-17(25-2)19-12-18-16/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyRBXOCMHKGWJMBI-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.25
Rot. Bonds6

About N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891264) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891264
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(Cc3cnnn3C)CC2)ncn1
InChIInChI=1S/C17H25N7O/c1-22-15(10-20-21-22)11-23-7-5-14(6-8-23)24(13-3-4-13)16-9-17(25-2)19-12-18-16/h9-10,12-14H,3-8,11H2,1-2H3
InChIKeyRBXOCMHKGWJMBI-UHFFFAOYSA-N
XLogP1.25
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126891264) is N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(Cc3cnnn3C)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is RBXOCMHKGWJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-22-15(10-20-21-22)11-23-7-5-14(6-8-23)24(13-3-4-13)16-9-17(25-2)19-12-18-16/h9-10,12-14H,3-8,11H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).