2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide

C18H20N8O3 — CID 67002561

IUPAC2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESCC(N)CNc1ncc(C(N)=O)c(Nc2cccc(C(=O)Nc3ccon3)c2)n1
InChIInChI=1S/C18H20N8O3/c1-10(19)8-21-18-22-9-13(15(20)27)16(25-18)23-12-4-2-3-11(7-12)17(28)24-14-5-6-29-26-14/h2-7,9-10H,8,19H2,1H3,(H2,20,27)(H,24,26,28)(H2,21,22,23,25)
InChIKeyXUQPMULWOZEOAF-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.32
Rot. Bonds8

About 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide

2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide (PubChem CID 67002561) has the molecular formula C18H20N8O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide
PubChem CID67002561
Molecular FormulaC18H20N8O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide
SMILESCC(N)CNc1ncc(C(N)=O)c(Nc2cccc(C(=O)Nc3ccon3)c2)n1
InChIInChI=1S/C18H20N8O3/c1-10(19)8-21-18-22-9-13(15(20)27)16(25-18)23-12-4-2-3-11(7-12)17(28)24-14-5-6-29-26-14/h2-7,9-10H,8,19H2,1H3,(H2,20,27)(H,24,26,28)(H2,21,22,23,25)
InChIKeyXUQPMULWOZEOAF-UHFFFAOYSA-N
XLogP1.32
TPSA174.08 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 52943788
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CID 52944121
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CID 118475620
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CID 68035714
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CID 68035722
CID 68035722
CID 68035728
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CID 68036125
CID 68036125

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide (CID 67002561) is 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide is CC(N)CNc1ncc(C(N)=O)c(Nc2cccc(C(=O)Nc3ccon3)c2)n1.
What is the InChIKey of 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is XUQPMULWOZEOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3/c1-10(19)8-21-18-22-9-13(15(20)27)16(25-18)23-12-4-2-3-11(7-12)17(28)24-14-5-6-29-26-14/h2-7,9-10H,8,19H2,1H3,(H2,20,27)(H,24,26,28)(H2,21,22,23,25).
What are the key properties of 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide?
2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 1.32, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylamino)-4-[3-(1,2-oxazol-3-ylcarbamoyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 67002561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).