4-propyl-1H-pyrimidine-2,4-diamine

C7H14N4 — CID 143394966

IUPAC4-propyl-1H-pyrimidine-2,4-diamine
SMILESCCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C7H14N4/c1-2-3-7(9)4-5-10-6(8)11-7/h4-5H,2-3,9H2,1H3,(H3,8,10,11)
InChIKeyZJWGDZIKNINWEY-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.13
Rot. Bonds2

About 4-propyl-1H-pyrimidine-2,4-diamine

4-propyl-1H-pyrimidine-2,4-diamine (PubChem CID 143394966) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-propyl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-propyl-1H-pyrimidine-2,4-diamine
PubChem CID143394966
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-propyl-1H-pyrimidine-2,4-diamine
SMILESCCCC1(N)C=CNC(N)=N1
InChIInChI=1S/C7H14N4/c1-2-3-7(9)4-5-10-6(8)11-7/h4-5H,2-3,9H2,1H3,(H3,8,10,11)
InChIKeyZJWGDZIKNINWEY-UHFFFAOYSA-N
XLogP-0.13
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl(4-amino)pyrimidine
CID 129876017
4-(3,3,3-trifluoropropyl)-1H-pyrimidine-2,4-diamine
CID 143492583
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 67413100
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
4-prop-2-ynyl-1H-pyrimidine-2,4-diamine
CID 87454955
N,4-dimethyl-1H-pyrimidin-4-amine
CID 123208340
4-ethyl-1H-pyrimidine-4,5-diamine
CID 141404930
6-Propyl-1,6-dihydropyrimidin-1-ium
CID 141949212

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-propyl-1H-pyrimidine-2,4-diamine (CID 143394966) is 4-propyl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-propyl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-propyl-1H-pyrimidine-2,4-diamine is CCCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-propyl-1H-pyrimidine-2,4-diamine?
The InChIKey is ZJWGDZIKNINWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-7(9)4-5-10-6(8)11-7/h4-5H,2-3,9H2,1H3,(H3,8,10,11).
What are the key properties of 4-propyl-1H-pyrimidine-2,4-diamine?
4-propyl-1H-pyrimidine-2,4-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143394966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).