5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide

C19H25N5O3 — CID 143493345

IUPAC5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2ncc(O)c(C(=O)NCCCN3CCCC3)n2)c1
InChIInChI=1S/C19H25N5O3/c1-27-15-7-4-6-14(12-15)22-19-21-13-16(25)17(23-19)18(26)20-8-5-11-24-9-2-3-10-24/h4,6-7,12-13,25H,2-3,5,8-11H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyDLMMUYGQIPVSKR-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.15
Rot. Bonds8

About 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide

5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide (PubChem CID 143493345) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide
PubChem CID143493345
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2ncc(O)c(C(=O)NCCCN3CCCC3)n2)c1
InChIInChI=1S/C19H25N5O3/c1-27-15-7-4-6-14(12-15)22-19-21-13-16(25)17(23-19)18(26)20-8-5-11-24-9-2-3-10-24/h4,6-7,12-13,25H,2-3,5,8-11H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyDLMMUYGQIPVSKR-UHFFFAOYSA-N
XLogP2.15
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[3-(4,5-dihydroxyimidazol-1-yl)propyl]-5-hydroxypyrimidine-4-carboxamide
CID 143493353
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50826704
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
2-amino-4-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 115412500
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
4-[[4-(3-methoxyanilino)pyrimidin-2-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 66637335
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide (CID 143493345) is 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide is COc1cccc(Nc2ncc(O)c(C(=O)NCCCN3CCCC3)n2)c1.
What is the InChIKey of 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide?
The InChIKey is DLMMUYGQIPVSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-15-7-4-6-14(12-15)22-19-21-13-16(25)17(23-19)18(26)20-8-5-11-24-9-2-3-10-24/h4,6-7,12-13,25H,2-3,5,8-11H2,1H3,(H,20,26)(H,21,22,23).
What are the key properties of 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide?
5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(3-methoxyanilino)-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 143493345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).