N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine

C21H34N4O — CID 92637873

IUPACN-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(CC2CCN(C3CCOCC3)CC2)cc(NC2CCCC2)n1
InChIInChI=1S/C21H34N4O/c1-16-22-19(15-21(23-16)24-18-4-2-3-5-18)14-17-6-10-25(11-7-17)20-8-12-26-13-9-20/h15,17-18,20H,2-14H2,1H3,(H,22,23,24)
InChIKeyVSUSUSHIUYPNQP-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.57
Rot. Bonds5

About N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine

N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine (PubChem CID 92637873) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
PubChem CID92637873
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine
SMILESCc1nc(CC2CCN(C3CCOCC3)CC2)cc(NC2CCCC2)n1
InChIInChI=1S/C21H34N4O/c1-16-22-19(15-21(23-16)24-18-4-2-3-5-18)14-17-6-10-25(11-7-17)20-8-12-26-13-9-20/h15,17-18,20H,2-14H2,1H3,(H,22,23,24)
InChIKeyVSUSUSHIUYPNQP-UHFFFAOYSA-N
XLogP3.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine (CID 92637873) is N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine is Cc1nc(CC2CCN(C3CCOCC3)CC2)cc(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is VSUSUSHIUYPNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-16-22-19(15-21(23-16)24-18-4-2-3-5-18)14-17-6-10-25(11-7-17)20-8-12-26-13-9-20/h15,17-18,20H,2-14H2,1H3,(H,22,23,24).
What are the key properties of N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine?
N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 358.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-6-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 92637873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).