2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C15H21N5O2 — CID 109253483

IUPAC2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C15H21N5O2/c1-20(2)7-4-6-16-15-18-9-12(10-19-15)14(21)17-11-13-5-3-8-22-13/h3,5,8-10H,4,6-7,11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyZBMYEMZWJXUJNT-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.36
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109253483) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109253483
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCN(C)CCCNc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C15H21N5O2/c1-20(2)7-4-6-16-15-18-9-12(10-19-15)14(21)17-11-13-5-3-8-22-13/h3,5,8-10H,4,6-7,11H2,1-2H3,(H,17,21)(H,16,18,19)
InChIKeyZBMYEMZWJXUJNT-UHFFFAOYSA-N
XLogP1.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
4-[3-(dimethylamino)propylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109060283
4-[2-(dimethylamino)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109207271
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
N-[3-(dimethylamino)propyl]-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207723
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109253483) is 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is CN(C)CCCNc1ncc(C(=O)NCc2ccco2)cn1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is ZBMYEMZWJXUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20(2)7-4-6-16-15-18-9-12(10-19-15)14(21)17-11-13-5-3-8-22-13/h3,5,8-10H,4,6-7,11H2,1-2H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).