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

C14H25N5O — CID 122319607

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C14H25N5O/c1-7-10(8-2)13(20)16-11-9-15-14(19(5)6)17-12(11)18(3)4/h9-10H,7-8H2,1-6H3,(H,16,20)
InChIKeyBTQGBFPKRVLQMJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.98
Rot. Bonds6

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

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide (PubChem CID 122319607) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
PubChem CID122319607
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnc(N(C)C)nc1N(C)C
InChIInChI=1S/C14H25N5O/c1-7-10(8-2)13(20)16-11-9-15-14(19(5)6)17-12(11)18(3)4/h9-10H,7-8H2,1-6H3,(H,16,20)
InChIKeyBTQGBFPKRVLQMJ-UHFFFAOYSA-N
XLogP1.98
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-cyclopentylpropanamide
CID 122319650
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
CID 122319704
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-diethoxypyrimidin-5-yl)-2-ethylbutanamide
CID 122304247
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
CID 122319662
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
1-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 91966399

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide (CID 122319607) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cnc(N(C)C)nc1N(C)C.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide?
The InChIKey is BTQGBFPKRVLQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-7-10(8-2)13(20)16-11-9-15-14(19(5)6)17-12(11)18(3)4/h9-10H,7-8H2,1-6H3,(H,16,20).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide has a molecular weight of 279.39 g/mol, XLogP of 1.98, 6 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]-2-ethylbutanamide is sourced from PubChem (CID 122319607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).