N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine

C16H20N4O — CID 70690928

IUPACN-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1N(C)C1CCCC1
InChIInChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16-14(21-2)11-18-15(19-16)13-9-5-6-10-17-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyRADRLLUMJKDNPX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine

N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 70690928) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID70690928
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCOc1cnc(-c2ccccn2)nc1N(C)C1CCCC1
InChIInChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16-14(21-2)11-18-15(19-16)13-9-5-6-10-17-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKeyRADRLLUMJKDNPX-UHFFFAOYSA-N
XLogP2.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
Methyl 4-morpholino-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470839
5-methoxy-2-(2-pyridinyl)-4-(1-pyrrolidinyl)Pyrimidine
CID 1470848
5-Methoxy-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 51040288
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 51042017
US10584134, Example 2-2
CID 53234870
(1R,4S)-2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane
CID 70688840
AS2690168 free base
CID 70695115
N-[(2-fluorophenyl)methyl]-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 70697151
5-methoxy-N-(1-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70682527
1-(5-Methoxy-2-pyridin-2-ylpyrimidin-4-yl)azepane
CID 70688839

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine (CID 70690928) is N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine is COc1cnc(-c2ccccn2)nc1N(C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is RADRLLUMJKDNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16-14(21-2)11-18-15(19-16)13-9-5-6-10-17-13/h5-6,9-12H,3-4,7-8H2,1-2H3.
What are the key properties of N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine?
N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 284.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 70690928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).