N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine

C7H13N3 — CID 173471269

IUPACN-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCN(C)C1C=CNC=N1
InChIInChI=1S/C7H13N3/c1-3-10(2)7-4-5-8-6-9-7/h4-7H,3H2,1-2H3,(H,8,9)
InChIKeyGQDYRRFXHQUGEB-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.41
Rot. Bonds2

About N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine

N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 173471269) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID173471269
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine
SMILESCCN(C)C1C=CNC=N1
InChIInChI=1S/C7H13N3/c1-3-10(2)7-4-5-8-6-9-7/h4-7H,3H2,1-2H3,(H,8,9)
InChIKeyGQDYRRFXHQUGEB-UHFFFAOYSA-N
XLogP0.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine (CID 173471269) is N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine is CCN(C)C1C=CNC=N1.
What is the InChIKey of N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is GQDYRRFXHQUGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10(2)7-4-5-8-6-9-7/h4-7H,3H2,1-2H3,(H,8,9).
What are the key properties of N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine?
N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 139.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 173471269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).