N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

C18H22N8O — CID 126891165

IUPACN-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C18H22N8O/c1-27-15-8-14(19-9-20-15)26(12-2-3-12)13-4-6-25(7-5-13)18-16-17(22-10-21-16)23-11-24-18/h8-13H,2-7H2,1H3,(H,21,22,23,24)
InChIKeyXXFFQISGIXGJBH-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.79
Rot. Bonds5

About N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891165) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891165
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1
InChIInChI=1S/C18H22N8O/c1-27-15-8-14(19-9-20-15)26(12-2-3-12)13-4-6-25(7-5-13)18-16-17(22-10-21-16)23-11-24-18/h8-13H,2-7H2,1H3,(H,21,22,23,24)
InChIKeyXXFFQISGIXGJBH-UHFFFAOYSA-N
XLogP1.79
TPSA95.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126891165) is N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3ncnc4nc[nH]c34)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is XXFFQISGIXGJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-27-15-8-14(19-9-20-15)26(12-2-3-12)13-4-6-25(7-5-13)18-16-17(22-10-21-16)23-11-24-18/h8-13H,2-7H2,1H3,(H,21,22,23,24).
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-(7H-purin-6-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).