2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide

C16H21N7O3 — CID 67002750

IUPAC2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2nc(NCC(C)N)ncc2C(N)=O)ccc1C(N)=O
InChIInChI=1S/C16H21N7O3/c1-8(17)6-20-16-21-7-11(14(19)25)15(23-16)22-9-3-4-10(13(18)24)12(5-9)26-2/h3-5,7-8H,6,17H2,1-2H3,(H2,18,24)(H2,19,25)(H2,20,21,22,23)
InChIKeyIDGJXUPMYCVIBZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.19
Rot. Bonds8

About 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide

2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 67002750) has the molecular formula C16H21N7O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID67002750
Molecular FormulaC16H21N7O3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1cc(Nc2nc(NCC(C)N)ncc2C(N)=O)ccc1C(N)=O
InChIInChI=1S/C16H21N7O3/c1-8(17)6-20-16-21-7-11(14(19)25)15(23-16)22-9-3-4-10(13(18)24)12(5-9)26-2/h3-5,7-8H,6,17H2,1-2H3,(H2,18,24)(H2,19,25)(H2,20,21,22,23)
InChIKeyIDGJXUPMYCVIBZ-UHFFFAOYSA-N
XLogP0.19
TPSA171.27 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide (CID 67002750) is 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide is COc1cc(Nc2nc(NCC(C)N)ncc2C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is IDGJXUPMYCVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O3/c1-8(17)6-20-16-21-7-11(14(19)25)15(23-16)22-9-3-4-10(13(18)24)12(5-9)26-2/h3-5,7-8H,6,17H2,1-2H3,(H2,18,24)(H2,19,25)(H2,20,21,22,23).
What are the key properties of 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide?
2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 0.19, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylamino)-4-(4-carbamoyl-3-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 67002750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).