4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide

C19H21N5O2 — CID 153028738

IUPAC4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3c(c2)CCC(=O)C3)nc1NC1CCC1
InChIInChI=1S/C19H21N5O2/c20-17(26)16-10-21-19(24-18(16)22-13-2-1-3-13)23-14-6-4-12-9-15(25)7-5-11(12)8-14/h4,6,8,10,13H,1-3,5,7,9H2,(H2,20,26)(H2,21,22,23,24)
InChIKeyVDJRNGBRKCUVNX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.34
Rot. Bonds5

About 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide

4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 153028738) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID153028738
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc3c(c2)CCC(=O)C3)nc1NC1CCC1
InChIInChI=1S/C19H21N5O2/c20-17(26)16-10-21-19(24-18(16)22-13-2-1-3-13)23-14-6-4-12-9-15(25)7-5-11(12)8-14/h4,6,8,10,13H,1-3,5,7,9H2,(H2,20,26)(H2,21,22,23,24)
InChIKeyVDJRNGBRKCUVNX-UHFFFAOYSA-N
XLogP2.34
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopropylamino)-2-(quinoxalin-6-ylamino)pyrimidine-5-carboxamide
CID 44594230
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
4-(cyclobutylamino)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 58014750
4-(cyclobutylamino)-2-(2,3,4,5-tetrahydro-1,5-benzoxazepin-7-ylamino)pyrimidine-5-carboxamide
CID 154949415
2-[(3-chloro-2H-indazol-5-yl)amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014871
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-(cyclopropylamino)-2-[[(3S)-3-(2-methoxyethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl]amino]pyrimidine-5-carboxamide
CID 154949483
2-[[1-(2-amino-2-oxoethyl)indazol-6-yl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 58014951
2-[4-[(3-amino-3-oxopropyl)-methylamino]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 66792045
2-[4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44539884
4-(cyclopropylamino)-N-(2-hydroxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 156831641
2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide
CID 44594939

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide (CID 153028738) is 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc3c(c2)CCC(=O)C3)nc1NC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is VDJRNGBRKCUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-17(26)16-10-21-19(24-18(16)22-13-2-1-3-13)23-14-6-4-12-9-15(25)7-5-11(12)8-14/h4,6,8,10,13H,1-3,5,7,9H2,(H2,20,26)(H2,21,22,23,24).
What are the key properties of 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide?
4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2-[(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 153028738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).