N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine

C19H24N4O — CID 126813706

IUPACN-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
SMILESc1ccc(OC2CCN(c3cc(NCC4CC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-2-4-16(5-3-1)24-17-8-10-23(11-9-17)19-12-18(21-14-22-19)20-13-15-6-7-15/h1-5,12,14-15,17H,6-11,13H2,(H,20,21,22)
InChIKeyJZYAJSATTFLYFT-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.35
Rot. Bonds6

About N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine

N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 126813706) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID126813706
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
SMILESc1ccc(OC2CCN(c3cc(NCC4CC4)ncn3)CC2)cc1
InChIInChI=1S/C19H24N4O/c1-2-4-16(5-3-1)24-17-8-10-23(11-9-17)19-12-18(21-14-22-19)20-13-15-6-7-15/h1-5,12,14-15,17H,6-11,13H2,(H,20,21,22)
InChIKeyJZYAJSATTFLYFT-UHFFFAOYSA-N
XLogP3.35
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 102563230
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
N-(cyclopropylmethyl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 133453180
N-(cyclopropylmethyl)-6-[4-(oxan-4-yl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 84590308
[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
N-[6-(4-benzylpiperidin-1-yl)pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112857435
4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
CID 93480995
4-methoxy-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine
CID 50962504
1-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 166248370
N-ethyl-6-(3-phenylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80822469

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine (CID 126813706) is N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine is c1ccc(OC2CCN(c3cc(NCC4CC4)ncn3)CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is JZYAJSATTFLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-4-16(5-3-1)24-17-8-10-23(11-9-17)19-12-18(21-14-22-19)20-13-15-6-7-15/h1-5,12,14-15,17H,6-11,13H2,(H,20,21,22).
What are the key properties of N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine?
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 324.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 126813706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).