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

C11H18N4O3 — CID 112638489

IUPAC2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
SMILESCc1cc(OC(C)C)nc(NCCOC(N)=O)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)18-9-6-8(3)14-11(15-9)13-4-5-17-10(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyVFMVSXGPHWYEBI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.08
Rot. Bonds6

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

2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate (PubChem CID 112638489) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
PubChem CID112638489
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate
SMILESCc1cc(OC(C)C)nc(NCCOC(N)=O)n1
InChIInChI=1S/C11H18N4O3/c1-7(2)18-9-6-8(3)14-11(15-9)13-4-5-17-10(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,15)
InChIKeyVFMVSXGPHWYEBI-UHFFFAOYSA-N
XLogP1.08
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112634492
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
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
N-ethyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636791
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
2-[[2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetyl]amino]acetic acid
CID 115972915
N'-methyl-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106048616
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 115973104

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate (CID 112638489) is 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate is Cc1cc(OC(C)C)nc(NCCOC(N)=O)n1.
What is the InChIKey of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate?
The InChIKey is VFMVSXGPHWYEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(2)18-9-6-8(3)14-11(15-9)13-4-5-17-10(12)16/h6-7H,4-5H2,1-3H3,(H2,12,16)(H,13,14,15).
What are the key properties of 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate?
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]ethyl carbamate is sourced from PubChem (CID 112638489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).