4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

C13H22N4O — CID 112683417

IUPAC4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(Nc2nccc(OC)n2)CC1
InChIInChI=1S/C13H22N4O/c1-3-8-17-9-5-11(6-10-17)15-13-14-7-4-12(16-13)18-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,15,16)
InChIKeyIQBGIJQHLUOCMN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine

4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 112683417) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID112683417
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
SMILESCCCN1CCC(Nc2nccc(OC)n2)CC1
InChIInChI=1S/C13H22N4O/c1-3-8-17-9-5-11(6-10-17)15-13-14-7-4-12(16-13)18-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,15,16)
InChIKeyIQBGIJQHLUOCMN-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
CID 112695266
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171995555
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
CID 112637135
4-methoxy-N-(3-methoxycyclopentyl)pyrimidin-2-amine
CID 103082114
N-(4-methoxypyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112695271
4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine (CID 112683417) is 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is CCCN1CCC(Nc2nccc(OC)n2)CC1.
What is the InChIKey of 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is IQBGIJQHLUOCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-8-17-9-5-11(6-10-17)15-13-14-7-4-12(16-13)18-2/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine?
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 112683417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).