5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one

C10H18N4O2 — CID 137009854

IUPAC5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)OCCN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)16-5-4-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyHVIZGTAVLMGUEC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.21
Rot. Bonds5

About 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one

5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009854) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID137009854
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)OCCN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H18N4O2/c1-7(2)16-5-4-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15)
InChIKeyHVIZGTAVLMGUEC-UHFFFAOYSA-N
XLogP0.21
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one 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

5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
6-chloro-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,5-diamine
CID 81059374
3-N-methyl-3-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 103768529
3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
CID 137009081
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one (CID 137009854) is 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one is CC(C)OCCN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HVIZGTAVLMGUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)16-5-4-14(3)9-8(11)10(15)13-6-12-9/h6-7H,4-5,11H2,1-3H3,(H,12,13,15).
What are the key properties of 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).