4-propyl-1H-pyrimidine-4,6-diamine

C7H14N4 — CID 154166879

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

About 4-propyl-1H-pyrimidine-4,6-diamine

4-propyl-1H-pyrimidine-4,6-diamine (PubChem CID 154166879) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 4-propyl-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-propyl-1H-pyrimidine-4,6-diamine
PubChem CID154166879
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name4-propyl-1H-pyrimidine-4,6-diamine
SMILESCCCC1(N)C=C(N)NC=N1
InChIInChI=1S/C7H14N4/c1-2-3-7(9)4-6(8)10-5-11-7/h4-5H,2-3,8-9H2,1H3,(H,10,11)
InChIKeyOXPVAKLQDMAMOC-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-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
N,4-dimethyl-1H-pyrimidin-4-amine
CID 123208340
4-ethyl-1H-pyrimidine-4,5-diamine
CID 141404930
4-N,4-dimethyl-1H-pyrimidine-4,6-diamine
CID 142666880
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
6-N,4-dimethyl-1H-pyrimidine-4,6-diamine
CID 151518064
4-N,4-dimethyl-1H-pyrimidine-2,4-diamine
CID 152780332
4-(2-aminoethyl)-1H-pyrimidine-2,4-diamine
CID 153927810
4-prop-2-ynyl-1H-pyrimidine-4,6-diamine
CID 154136672
4-methyl-1H-pyrimidine-4,6-diamine
CID 154280155
4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride
CID 160579203

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1H-pyrimidine-4,6-diamine?
The IUPAC name of 4-propyl-1H-pyrimidine-4,6-diamine (CID 154166879) is 4-propyl-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 4-propyl-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 4-propyl-1H-pyrimidine-4,6-diamine is CCCC1(N)C=C(N)NC=N1.
What is the InChIKey of 4-propyl-1H-pyrimidine-4,6-diamine?
The InChIKey is OXPVAKLQDMAMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-7(9)4-6(8)10-5-11-7/h4-5H,2-3,8-9H2,1H3,(H,10,11).
What are the key properties of 4-propyl-1H-pyrimidine-4,6-diamine?
4-propyl-1H-pyrimidine-4,6-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-4,6-diamine is sourced from PubChem (CID 154166879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).