2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide

C20H25N5O2 — CID 56894253

IUPAC2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1NC1CCOCC1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H25N5O2/c26-19(25-18-7-6-17(18)23-16-8-10-27-11-9-16)14-12-21-20(22-13-14)24-15-4-2-1-3-5-15/h1-5,12-13,16-18,23H,6-11H2,(H,25,26)(H,21,22,24)/t17-,18+/m1/s1
InChIKeyXJEWIMXTKXCHLM-MSOLQXFVSA-N
MW367.45 g/mol
LogP2.25
Rot. Bonds6

About 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide

2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide (PubChem CID 56894253) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide
PubChem CID56894253
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CC[C@H]1NC1CCOCC1)c1cnc(Nc2ccccc2)nc1
InChIInChI=1S/C20H25N5O2/c26-19(25-18-7-6-17(18)23-16-8-10-27-11-9-16)14-12-21-20(22-13-14)24-15-4-2-1-3-5-15/h1-5,12-13,16-18,23H,6-11H2,(H,25,26)(H,21,22,24)/t17-,18+/m1/s1
InChIKeyXJEWIMXTKXCHLM-MSOLQXFVSA-N
XLogP2.25
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-anilino-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]pyrimidine-5-carboxamide
CID 126451939
N-(2-benzamidocyclobutyl)benzamide
CID 58037122
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
4-methyl-N-[(1R,2S)-2-(oxan-4-ylamino)cyclobutyl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 133132511
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide (CID 56894253) is 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide is O=C(N[C@H]1CC[C@H]1NC1CCOCC1)c1cnc(Nc2ccccc2)nc1.
What is the InChIKey of 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide?
The InChIKey is XJEWIMXTKXCHLM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19(25-18-7-6-17(18)23-16-8-10-27-11-9-16)14-12-21-20(22-13-14)24-15-4-2-1-3-5-15/h1-5,12-13,16-18,23H,6-11H2,(H,25,26)(H,21,22,24)/t17-,18+/m1/s1.
What are the key properties of 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide?
2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(1S,2R)-2-(oxan-4-ylamino)cyclobutyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 56894253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).