N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide

C13H23N5O — CID 91969256

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)7-11(19)15-10-8-14-13(18(5)6)16-12(10)17(3)4/h8-9H,7H2,1-6H3,(H,15,19)
InChIKeyXLUDXTDJCWLDCX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.59
Rot. Bonds5

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide (PubChem CID 91969256) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
PubChem CID91969256
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C13H23N5O/c1-9(2)7-11(19)15-10-8-14-13(18(5)6)16-12(10)17(3)4/h8-9H,7H2,1-6H3,(H,15,19)
InChIKeyXLUDXTDJCWLDCX-UHFFFAOYSA-N
XLogP1.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide
CID 122319650
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
CID 122319662
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 71807673
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-(4-methoxy-2-methylpyrimidin-5-yl)-3-methylbutanamide
CID 176873389
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
1-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91966399
N-(4-methoxy-3-pyridinyl)-3-methylbutanamide
CID 176872995

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide (CID 91969256) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1cnc(N(C)C)nc1N(C)C.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide?
The InChIKey is XLUDXTDJCWLDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)7-11(19)15-10-8-14-13(18(5)6)16-12(10)17(3)4/h8-9H,7H2,1-6H3,(H,15,19).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide has a molecular weight of 265.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide is sourced from PubChem (CID 91969256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).