2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide

C11H19N5O — CID 107550677

IUPAC2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)CCC(C)O)n1
InChIInChI=1S/C11H19N5O/c1-7-6-9(10(12)13)15-11(14-7)16(3)5-4-8(2)17/h6,8,17H,4-5H2,1-3H3,(H3,12,13)
InChIKeyDCJSLANJJINNQI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.28
Rot. Bonds5

About 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide

2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550677) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
PubChem CID107550677
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(C)CCC(C)O)n1
InChIInChI=1S/C11H19N5O/c1-7-6-9(10(12)13)15-11(14-7)16(3)5-4-8(2)17/h6,8,17H,4-5H2,1-3H3,(H3,12,13)
InChIKeyDCJSLANJJINNQI-UHFFFAOYSA-N
XLogP0.28
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide 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

2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550614
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550138
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-(N-ethyl-2-methylanilino)-6-methylpyrimidine-4-carboximidamide
CID 107550077
2-[1-(2-chlorophenyl)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550456

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide (CID 107550677) is 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(C)CCC(C)O)n1.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is DCJSLANJJINNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-6-9(10(12)13)15-11(14-7)16(3)5-4-8(2)17/h6,8,17H,4-5H2,1-3H3,(H3,12,13).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide?
2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).