[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

C19H22N8O — CID 70111699

IUPAC[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCc1cc(NC(N)=O)nc2nc(N(c3ccccc3)N3CCNCC3)ncc12
InChIInChI=1S/C19H22N8O/c1-13-11-16(24-18(20)28)23-17-15(13)12-22-19(25-17)27(14-5-3-2-4-6-14)26-9-7-21-8-10-26/h2-6,11-12,21H,7-10H2,1H3,(H3,20,22,23,24,25,28)
InChIKeyUMZSEMYMAHMRAF-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.78
Rot. Bonds4

About [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea

[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (PubChem CID 70111699) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.

Molecular Properties

Compound Name[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
PubChem CID70111699
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea
SMILESCc1cc(NC(N)=O)nc2nc(N(c3ccccc3)N3CCNCC3)ncc12
InChIInChI=1S/C19H22N8O/c1-13-11-16(24-18(20)28)23-17-15(13)12-22-19(25-17)27(14-5-3-2-4-6-14)26-9-7-21-8-10-26/h2-6,11-12,21H,7-10H2,1H3,(H3,20,22,23,24,25,28)
InChIKeyUMZSEMYMAHMRAF-UHFFFAOYSA-N
XLogP1.78
TPSA112.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The IUPAC name of [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea (CID 70111699) is [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea.
What is the SMILES notation for [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The canonical SMILES for [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is Cc1cc(NC(N)=O)nc2nc(N(c3ccccc3)N3CCNCC3)ncc12.
What is the InChIKey of [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
The InChIKey is UMZSEMYMAHMRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-13-11-16(24-18(20)28)23-17-15(13)12-22-19(25-17)27(14-5-3-2-4-6-14)26-9-7-21-8-10-26/h2-6,11-12,21H,7-10H2,1H3,(H3,20,22,23,24,25,28).
What are the key properties of [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea?
[5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea has a molecular weight of 378.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(N-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-yl]urea is sourced from PubChem (CID 70111699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).