4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine

C9H18N4 — CID 143492573

IUPAC4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H18N4/c1-7(2)3-4-9(11)5-6-12-8(10)13-9/h5-7H,3-4,11H2,1-2H3,(H3,10,12,13)
InChIKeyDLLQXIUNCCTZOA-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.51
Rot. Bonds3

About 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine

4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine (PubChem CID 143492573) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
PubChem CID143492573
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C9H18N4/c1-7(2)3-4-9(11)5-6-12-8(10)13-9/h5-7H,3-4,11H2,1-2H3,(H3,10,12,13)
InChIKeyDLLQXIUNCCTZOA-UHFFFAOYSA-N
XLogP0.51
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-cyclopentyl-1H-pyrimidine-2,4-diamine
CID 67412227
4-cyclohexyl-1H-pyrimidine-2,4-diamine
CID 67412285
4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 67413100
4-butyl-4-methyl-1H-pyrimidine
CID 90806003
4-methyl-4-(3-methylbutyl)-1H-pyrimidine
CID 91605127
4-(2-methylcyclopropyl)-1H-pyrimidine-2,4-diamine
CID 135331790
4-(2-methylbutyl)-1H-pyrimidine-2,4-diamine
CID 141176041
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-(cyclohexylmethyl)-1H-pyrimidine-2,4-diamine
CID 144001151
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-tert-butyl-1H-pyrimidine-2,4-diamine
CID 144001210

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine (CID 143492573) is 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine is CC(C)CCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is DLLQXIUNCCTZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)3-4-9(11)5-6-12-8(10)13-9/h5-7H,3-4,11H2,1-2H3,(H3,10,12,13).
What are the key properties of 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine?
4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 182.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).