3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

C12H20N4O2 — CID 137015567

IUPAC3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1nc(NCCC(=O)NCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-8(2)7-14-11(17)4-5-13-10-6-12(18)16-9(3)15-10/h6,8H,4-5,7H2,1-3H3,(H,14,17)(H2,13,15,16,18)
InChIKeyRYCAVXIHQCRQFZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.65
Rot. Bonds6

About 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 137015567) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID137015567
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCc1nc(NCCC(=O)NCC(C)C)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O2/c1-8(2)7-14-11(17)4-5-13-10-6-12(18)16-9(3)15-10/h6,8H,4-5,7H2,1-3H3,(H,14,17)(H2,13,15,16,18)
InChIKeyRYCAVXIHQCRQFZ-UHFFFAOYSA-N
XLogP0.65
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
N,N-diethyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137015428
2-methyl-4-[2-(2-methylpropoxy)ethylamino]-1H-pyrimidin-6-one
CID 136957285
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113411201
2-methyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956570
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
4-methyl-N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzamide
CID 136956188
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-(2-methylpropyl)propanamide
CID 102716159
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide (CID 137015567) is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is Cc1nc(NCCC(=O)NCC(C)C)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is RYCAVXIHQCRQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)7-14-11(17)4-5-13-10-6-12(18)16-9(3)15-10/h6,8H,4-5,7H2,1-3H3,(H,14,17)(H2,13,15,16,18).
What are the key properties of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide?
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 137015567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).