N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

C20H33N5O — CID 126891176

IUPACN-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(CC3CCCCN3C)CC2)ncn1
InChIInChI=1S/C20H33N5O/c1-23-10-4-3-5-18(23)14-24-11-8-17(9-12-24)25(16-6-7-16)19-13-20(26-2)22-15-21-19/h13,15-18H,3-12,14H2,1-2H3
InChIKeyHJKBOLQCZVAXOE-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.40
Rot. Bonds6

About N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891176) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891176
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(CC3CCCCN3C)CC2)ncn1
InChIInChI=1S/C20H33N5O/c1-23-10-4-3-5-18(23)14-24-11-8-17(9-12-24)25(16-6-7-16)19-13-20(26-2)22-15-21-19/h13,15-18H,3-12,14H2,1-2H3
InChIKeyHJKBOLQCZVAXOE-UHFFFAOYSA-N
XLogP2.40
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326432
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891211
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326572
N-cyclopropyl-6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891260
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
3-[4-[cyclopropyl-(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpiperidin-2-one
CID 126891300
N-cyclopropyl-6-methoxy-N-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126891287
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-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
3-methoxy-6-[(1-methylpiperidin-2-yl)methoxy]pyridazine
CID 117063213

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126891176) is N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(CC3CCCCN3C)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is HJKBOLQCZVAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23-10-4-3-5-18(23)14-24-11-8-17(9-12-24)25(16-6-7-16)19-13-20(26-2)22-15-21-19/h13,15-18H,3-12,14H2,1-2H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 359.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).