N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

C19H18N6O — CID 122315829

IUPACN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)C1CC1
InChIInChI=1S/C19H18N6O/c26-19(13-4-5-13)24-15-8-6-14(7-9-15)23-17-11-18(22-12-21-17)25-16-3-1-2-10-20-16/h1-3,6-13H,4-5H2,(H,24,26)(H2,20,21,22,23,25)
InChIKeyLDUMYBJISMWPLJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.71
Rot. Bonds6

About N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide

N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (PubChem CID 122315829) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
PubChem CID122315829
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)C1CC1
InChIInChI=1S/C19H18N6O/c26-19(13-4-5-13)24-15-8-6-14(7-9-15)23-17-11-18(22-12-21-17)25-16-3-1-2-10-20-16/h1-3,6-13H,4-5H2,(H,24,26)(H2,20,21,22,23,25)
InChIKeyLDUMYBJISMWPLJ-UHFFFAOYSA-N
XLogP3.71
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122317195
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-oxocyclohexane-1-carboxamide
CID 122317252
2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
1-(4-methylphenyl)-5-oxo-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrrolidine-3-carboxamide
CID 122315960
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
1-(3,4-difluorophenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122315905
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044
2-(4-fluorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315816
2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315819
1-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122315913

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide (CID 122315829) is N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)C1CC1.
What is the InChIKey of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
The InChIKey is LDUMYBJISMWPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-19(13-4-5-13)24-15-8-6-14(7-9-15)23-17-11-18(22-12-21-17)25-16-3-1-2-10-20-16/h1-3,6-13H,4-5H2,(H,24,26)(H2,20,21,22,23,25).
What are the key properties of N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide?
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 122315829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).