4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

C18H20ClN7O — CID 165112360

IUPAC4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3Cl)n2)cn1
InChIInChI=1S/C18H20ClN7O/c1-3-7-26-10-12(8-22-26)23-18-21-9-13(16(20)27)17(25-18)24-15-11(2)5-4-6-14(15)19/h4-6,8-10H,3,7H2,1-2H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyCROCQIIGCRCFHS-UHFFFAOYSA-N
MW385.86 g/mol
LogP3.63
Rot. Bonds7

About 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide

4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 165112360) has the molecular formula C18H20ClN7O and a molecular weight of 385.86 g/mol. Its IUPAC name is 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID165112360
Molecular FormulaC18H20ClN7O
Molecular Weight385.86 g/mol
Exact Mass385.14
IUPAC Name4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide
SMILESCCCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3Cl)n2)cn1
InChIInChI=1S/C18H20ClN7O/c1-3-7-26-10-12(8-22-26)23-18-21-9-13(16(20)27)17(25-18)24-15-11(2)5-4-6-14(15)19/h4-6,8-10H,3,7H2,1-2H3,(H2,20,27)(H2,21,23,24,25)
InChIKeyCROCQIIGCRCFHS-UHFFFAOYSA-N
XLogP3.63
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.86
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide (CID 165112360) is 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is CCCn1cc(Nc2ncc(C(N)=O)c(Nc3c(C)cccc3Cl)n2)cn1.
What is the InChIKey of 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is CROCQIIGCRCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O/c1-3-7-26-10-12(8-22-26)23-18-21-9-13(16(20)27)17(25-18)24-15-11(2)5-4-6-14(15)19/h4-6,8-10H,3,7H2,1-2H3,(H2,20,27)(H2,21,23,24,25).
What are the key properties of 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide?
4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 385.86 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylanilino)-2-[(1-propylpyrazol-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165112360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).