N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine

C18H24N6O2 — CID 97487459

IUPACN-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N2CCOC[C@@H]2c2nccc(NC3CCCC3)n2)ncn1
InChIInChI=1S/C18H24N6O2/c1-25-17-10-16(20-12-21-17)24-8-9-26-11-14(24)18-19-7-6-15(23-18)22-13-4-2-3-5-13/h6-7,10,12-14H,2-5,8-9,11H2,1H3,(H,19,22,23)/t14-/m1/s1
InChIKeyHTAPHCATSVMBPS-CQSZACIVSA-N
MW356.43 g/mol
LogP2.21
Rot. Bonds5

About N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine

N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine (PubChem CID 97487459) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
PubChem CID97487459
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine
SMILESCOc1cc(N2CCOC[C@@H]2c2nccc(NC3CCCC3)n2)ncn1
InChIInChI=1S/C18H24N6O2/c1-25-17-10-16(20-12-21-17)24-8-9-26-11-14(24)18-19-7-6-15(23-18)22-13-4-2-3-5-13/h6-7,10,12-14H,2-5,8-9,11H2,1H3,(H,19,22,23)/t14-/m1/s1
InChIKeyHTAPHCATSVMBPS-CQSZACIVSA-N
XLogP2.21
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine (CID 97487459) is N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine is COc1cc(N2CCOC[C@@H]2c2nccc(NC3CCCC3)n2)ncn1.
What is the InChIKey of N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is HTAPHCATSVMBPS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-25-17-10-16(20-12-21-17)24-8-9-26-11-14(24)18-19-7-6-15(23-18)22-13-4-2-3-5-13/h6-7,10,12-14H,2-5,8-9,11H2,1H3,(H,19,22,23)/t14-/m1/s1.
What are the key properties of N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine?
N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 356.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3S)-4-(6-methoxypyrimidin-4-yl)morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 97487459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).