[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone

C20H25N5O — CID 91777425

IUPAC[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESNC1CC(c2cc(NC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H25N5O/c21-16-10-15(11-16)18-12-19(23-13-22-18)24-17-6-8-25(9-7-17)20(26)14-4-2-1-3-5-14/h1-5,12-13,15-17H,6-11,21H2,(H,22,23,24)
InChIKeyRHXFCUUYBZNHTO-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.40
Rot. Bonds4

About [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone

[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 91777425) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID91777425
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESNC1CC(c2cc(NC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1
InChIInChI=1S/C20H25N5O/c21-16-10-15(11-16)18-12-19(23-13-22-18)24-17-6-8-25(9-7-17)20(26)14-4-2-1-3-5-14/h1-5,12-13,15-17H,6-11,21H2,(H,22,23,24)
InChIKeyRHXFCUUYBZNHTO-UHFFFAOYSA-N
XLogP2.40
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

1-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;dihydrochloride
CID 154903346
ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 126849522
3-[6-[(1-benzoylpiperidin-4-yl)amino]-3-pyridinyl]prop-2-enoic acid
CID 68962538
2-amino-4-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-1H-pyrimidin-6-one;dihydrochloride
CID 154902433
[3-(dimethylamino)phenyl]-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 171334095
indolizin-2-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887543
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
3H-benzimidazol-5-yl-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 126888383
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone (CID 91777425) is [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone is NC1CC(c2cc(NC3CCN(C(=O)c4ccccc4)CC3)ncn2)C1.
What is the InChIKey of [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone?
The InChIKey is RHXFCUUYBZNHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c21-16-10-15(11-16)18-12-19(23-13-22-18)24-17-6-8-25(9-7-17)20(26)14-4-2-1-3-5-14/h1-5,12-13,15-17H,6-11,21H2,(H,22,23,24).
What are the key properties of [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone?
[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 351.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 91777425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).