4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide

C12H20N4O2 — CID 112636850

IUPAC4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
SMILESCc1cc(OC(C)C)nc(NCCCC(N)=O)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)18-11-7-9(3)15-12(16-11)14-6-4-5-10(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyLIDDKZLFGXBROC-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.25
Rot. Bonds7

About 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide

4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide (PubChem CID 112636850) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
PubChem CID112636850
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
SMILESCc1cc(OC(C)C)nc(NCCCC(N)=O)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)18-11-7-9(3)15-12(16-11)14-6-4-5-10(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,15,16)
InChIKeyLIDDKZLFGXBROC-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]butanamide
CID 112636843
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
CID 112638489
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
4-methyl-4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 115973001

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide?
The IUPAC name of 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide (CID 112636850) is 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide is Cc1cc(OC(C)C)nc(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide?
The InChIKey is LIDDKZLFGXBROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)18-11-7-9(3)15-12(16-11)14-6-4-5-10(13)17/h7-8H,4-6H2,1-3H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide?
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide has a molecular weight of 252.32 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide is sourced from PubChem (CID 112636850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).