N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine

C13H20N4O — CID 126851874

IUPACN-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
SMILESCOc1cc(N(C2CCNCC2)C2CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-18-13-8-12(15-9-16-13)17(10-2-3-10)11-4-6-14-7-5-11/h8-11,14H,2-7H2,1H3
InChIKeyKWMNUWQXAOTEFL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds4

About N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine (PubChem CID 126851874) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
PubChem CID126851874
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
SMILESCOc1cc(N(C2CCNCC2)C2CC2)ncn1
InChIInChI=1S/C13H20N4O/c1-18-13-8-12(15-9-16-13)17(10-2-3-10)11-4-6-14-7-5-11/h8-11,14H,2-7H2,1H3
InChIKeyKWMNUWQXAOTEFL-UHFFFAOYSA-N
XLogP1.21
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319644
N-cyclopropyl-N-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 126851873
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126891112
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126891176
N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326572
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
CID 126891300
N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891157

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine (CID 126851874) is N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine is COc1cc(N(C2CCNCC2)C2CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is KWMNUWQXAOTEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-13-8-12(15-9-16-13)17(10-2-3-10)11-4-6-14-7-5-11/h8-11,14H,2-7H2,1H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 126851874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).