4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile

C17H15N5O — CID 6539309

IUPAC4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile
SMILESCc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1
InChIInChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22)
InChIKeyJYNCERXNUWYBKO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.41
Rot. Bonds3

About 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile

4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile (PubChem CID 6539309) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile
PubChem CID6539309
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile
SMILESCc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1
InChIInChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22)
InChIKeyJYNCERXNUWYBKO-UHFFFAOYSA-N
XLogP3.41
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Meridianin A
CID 10421236
3-({7-Aminopyrido[4,3-d]pyrimidin-4-yl}amino)phenol
CID 5328072
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8d
CID 6539308
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8f
CID 6539310
2-[(3-Hydroxyphenyl)amino]-4-[4-Methyl-2-(Methylamino)-1,3-Thiazol-5-Yl]pyrimidine-5-Carbonitrile
CID 44253187
Tilfrinib
CID 76332983
4-(5-Hydroxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9924317
N2,N4-bis(3-hydroxyphenyl)-2,4-pyrimidinediamine
CID 10149490
3-(6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-ylamino)-phenol
CID 10564707
N-(3-methoxyphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 14347076
3-[[2-Pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 21304984
2,4-Bis(3-hydroxyanilino)pyrimidine-5-carbonitrile
CID 22060633

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The IUPAC name of 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile (CID 6539309) is 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The canonical SMILES for 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile is Cc1[nH]c(C#N)c(C)c1-c1ccnc(Nc2cccc(O)c2)n1.
What is the InChIKey of 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile?
The InChIKey is JYNCERXNUWYBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-15(9-18)20-11(2)16(10)14-6-7-19-17(22-14)21-12-4-3-5-13(23)8-12/h3-8,20,23H,1-2H3,(H,19,21,22).
What are the key properties of 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile?
4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 6539309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).