4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride

C6H13ClN4 — CID 160579203

IUPAC4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride
SMILESCCC1(N)C=CNC(N)=N1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-6(8)3-4-9-5(7)10-6;/h3-4H,2,8H2,1H3,(H3,7,9,10);1H
InChIKeyRBNXRIMWUJTIPB-UHFFFAOYSA-N
MW176.65 g/mol
LogP-0.10
Rot. Bonds1

About 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride

4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride (PubChem CID 160579203) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride
PubChem CID160579203
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride
SMILESCCC1(N)C=CNC(N)=N1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-2-6(8)3-4-9-5(7)10-6;/h3-4H,2,8H2,1H3,(H3,7,9,10);1H
InChIKeyRBNXRIMWUJTIPB-UHFFFAOYSA-N
XLogP-0.10
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl(4-amino)pyrimidine
CID 129876017
4-(2,2,2-trifluoroethyl)-1H-pyrimidine-2,4-diamine
CID 143515499
2-Chloro-4-prop-2-enyl-1,4-dihydropyrimidine
CID 14295274
4-ethyl-5-fluoro-1H-pyrimidine-2,4-diamine
CID 171648861
4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 67413100
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
2-chloro-4,4-dimethyl-1H-pyrimidine
CID 67479805
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-1,4-dihydropyrimidine
CID 123862023
N-iodo-4-methyl-1,4-dihydropyrimidin-2-amine
CID 134316533

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride (CID 160579203) is 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride is CCC1(N)C=CNC(N)=N1.Cl.
What is the InChIKey of 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is RBNXRIMWUJTIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-2-6(8)3-4-9-5(7)10-6;/h3-4H,2,8H2,1H3,(H3,7,9,10);1H.
What are the key properties of 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride?
4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 160579203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).