6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C17H23N5O — CID 109340614

IUPAC6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C17H23N5O/c1-4-13(2)21-16-11-15(19-12-20-16)17(23)22(3)10-7-14-5-8-18-9-6-14/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,19,20,21)
InChIKeyKWDOEUWXMDLUTB-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.40
Rot. Bonds7

About 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109340614) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109340614
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCCC(C)Nc1cc(C(=O)N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C17H23N5O/c1-4-13(2)21-16-11-15(19-12-20-16)17(23)22(3)10-7-14-5-8-18-9-6-14/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,19,20,21)
InChIKeyKWDOEUWXMDLUTB-UHFFFAOYSA-N
XLogP2.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109181625
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-methyl-N-(2-pyridin-4-ylethyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109351665
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
6-(3-methoxypropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109343138
6-(2-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351686
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
6-[2-(2-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351161
N-methyl-6-(propan-2-ylamino)-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109109444
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768

Frequently Asked Questions

What is the IUPAC name of 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109340614) is 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is CCC(C)Nc1cc(C(=O)N(C)CCc2ccncc2)ncn1.
What is the InChIKey of 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is KWDOEUWXMDLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-13(2)21-16-11-15(19-12-20-16)17(23)22(3)10-7-14-5-8-18-9-6-14/h5-6,8-9,11-13H,4,7,10H2,1-3H3,(H,19,20,21).
What are the key properties of 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butan-2-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109340614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).