2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C18H21N7O3 — CID 165112296

IUPAC2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccc(O)c(OC)c3)n2)cn1
InChIInChI=1S/C18H21N7O3/c1-3-25-10-12(8-22-25)23-18-21-9-13(16(19)27)17(24-18)20-7-11-4-5-14(26)15(6-11)28-2/h4-6,8-10,26H,3,7H2,1-2H3,(H2,19,27)(H2,20,21,23,24)
InChIKeyBCZLRKKSDZYUDG-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.86
Rot. Bonds8

About 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 165112296) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID165112296
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCCn1cc(Nc2ncc(C(N)=O)c(NCc3ccc(O)c(OC)c3)n2)cn1
InChIInChI=1S/C18H21N7O3/c1-3-25-10-12(8-22-25)23-18-21-9-13(16(19)27)17(24-18)20-7-11-4-5-14(26)15(6-11)28-2/h4-6,8-10,26H,3,7H2,1-2H3,(H2,19,27)(H2,20,21,23,24)
InChIKeyBCZLRKKSDZYUDG-UHFFFAOYSA-N
XLogP1.86
TPSA140.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]-4-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 165112238
2-[(1-ethylpyrazol-4-yl)amino]-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 165112300
4-[(2,3-dichlorophenyl)methylamino]-2-[(1-ethylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 165112275
2-[(1-ethylpyrazol-4-yl)amino]-4-(1H-indol-3-ylmethylamino)pyrimidine-5-carboxamide
CID 165112332
4-[(4-hydroxyphenyl)methylamino]-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
CID 154628243
2-[(1-ethylpyrazol-4-yl)amino]-4-[[(2S)-2-phenylpropyl]amino]pyrimidine-5-carboxamide
CID 165112333
2-[(1-ethylpyrazol-4-yl)amino]-4-[2-[3-(trifluoromethyl)phenyl]ethylamino]pyrimidine-5-carboxamide
CID 165112309
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
4-[[(1-ethylpyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 19625872
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
3-[(4-hydroxy-3-methoxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 71765561
4-[(4-fluorophenyl)methylamino]-2-[3-[(2-methoxyacetyl)amino]anilino]pyrimidine-5-carboxamide
CID 58098804

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 165112296) is 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is CCn1cc(Nc2ncc(C(N)=O)c(NCc3ccc(O)c(OC)c3)n2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is BCZLRKKSDZYUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-3-25-10-12(8-22-25)23-18-21-9-13(16(19)27)17(24-18)20-7-11-4-5-14(26)15(6-11)28-2/h4-6,8-10,26H,3,7H2,1-2H3,(H2,19,27)(H2,20,21,23,24).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)amino]-4-[(4-hydroxy-3-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).