6-ethyl-1,4-dihydropyrimidine-2,4-diamine

C6H12N4 — CID 126732468

IUPAC6-ethyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCCC1=CC(N)N=C(N)N1
InChIInChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10)
InChIKeyLZJDOOHMRIVMFR-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds1

About 6-ethyl-1,4-dihydropyrimidine-2,4-diamine

6-ethyl-1,4-dihydropyrimidine-2,4-diamine (PubChem CID 126732468) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 6-ethyl-1,4-dihydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-1,4-dihydropyrimidine-2,4-diamine
PubChem CID126732468
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name6-ethyl-1,4-dihydropyrimidine-2,4-diamine
SMILESCCC1=CC(N)N=C(N)N1
InChIInChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10)
InChIKeyLZJDOOHMRIVMFR-UHFFFAOYSA-N
XLogP-0.52
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,6-trimethyl-1H-pyrimidin-2-amine
CID 287218
6-Methyl-1,4-dihydropyrimidin-2-amine
CID 435185
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
N-ethenyl-4,6-dimethyl-1,4-dihydropyrimidin-2-amine
CID 126694644
1-[(E)-hex-3-en-3-yl]-2-methylguanidine
CID 132238786
6-(1-aminoethyl)-4-methyl-1H-pyrimidin-4-amine
CID 135136382
4,6-dimethyl-1H-pyrimidin-4-ide;lawrencium
CID 145531779
N-methyl-1-[(3,4,6-trimethyl-1,4-dihydropyrimidin-2-ylidene)amino]methanamine
CID 146777793
4-N-ethyl-6-methyl-1,4-dihydropyrimidine-2,4-diamine
CID 148293586

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine (CID 126732468) is 6-ethyl-1,4-dihydropyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-1,4-dihydropyrimidine-2,4-diamine is CCC1=CC(N)N=C(N)N1.
What is the InChIKey of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
The InChIKey is LZJDOOHMRIVMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-4-3-5(7)10-6(8)9-4/h3,5H,2,7H2,1H3,(H3,8,9,10).
What are the key properties of 6-ethyl-1,4-dihydropyrimidine-2,4-diamine?
6-ethyl-1,4-dihydropyrimidine-2,4-diamine has a molecular weight of 140.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-dihydropyrimidine-2,4-diamine is sourced from PubChem (CID 126732468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).