N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

C12H21N5O2 — CID 137119374

IUPACN-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(N(C)C(C)C)c(N)c(=O)[nH]1
InChIInChI=1S/C12H21N5O2/c1-6(2)10(18)15-12-14-9(17(5)7(3)4)8(13)11(19)16-12/h6-7H,13H2,1-5H3,(H2,14,15,16,18,19)
InChIKeyZXTWDWYYVHOJIB-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.79
Rot. Bonds4

About N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide

N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 137119374) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
PubChem CID137119374
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(N(C)C(C)C)c(N)c(=O)[nH]1
InChIInChI=1S/C12H21N5O2/c1-6(2)10(18)15-12-14-9(17(5)7(3)4)8(13)11(19)16-12/h6-7H,13H2,1-5H3,(H2,14,15,16,18,19)
InChIKeyZXTWDWYYVHOJIB-UHFFFAOYSA-N
XLogP0.79
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide (CID 137119374) is N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(N(C)C(C)C)c(N)c(=O)[nH]1.
What is the InChIKey of N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is ZXTWDWYYVHOJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-6(2)10(18)15-12-14-9(17(5)7(3)4)8(13)11(19)16-12/h6-7H,13H2,1-5H3,(H2,14,15,16,18,19).
What are the key properties of N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide?
N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 267.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-[methyl(propan-2-yl)amino]-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 137119374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).