N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C15H27N5O — CID 62166595

IUPACN-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C15H27N5O/c1-6-16-12-10-18-14(11(2)3)19-13(12)15(21)17-8-7-9-20(4)5/h10-11,16H,6-9H2,1-5H3,(H,17,21)
InChIKeyUQYIWPGODNBBBG-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.71
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62166595) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62166595
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)NCCCN(C)C
InChIInChI=1S/C15H27N5O/c1-6-16-12-10-18-14(11(2)3)19-13(12)15(21)17-8-7-9-20(4)5/h10-11,16H,6-9H2,1-5H3,(H,17,21)
InChIKeyUQYIWPGODNBBBG-UHFFFAOYSA-N
XLogP1.71
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167379
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
5-(ethylamino)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62179329
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
N-(1-cyanopropan-2-yl)-5-(ethylamino)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 63228199
5-(ethylamino)-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 62167205

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62166595) is N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is UQYIWPGODNBBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-16-12-10-18-14(11(2)3)19-13(12)15(21)17-8-7-9-20(4)5/h10-11,16H,6-9H2,1-5H3,(H,17,21).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62166595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).