2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine

C14H24N4 — CID 114102554

IUPAC2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCC1(CNc2nc(NCC)ncc2C)CC1
InChIInChI=1S/C14H24N4/c1-4-6-14(7-8-14)10-17-12-11(3)9-16-13(18-12)15-5-2/h9H,4-8,10H2,1-3H3,(H2,15,16,17,18)
InChIKeyXXGFMVWJVHSCCR-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.21
Rot. Bonds7

About 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine (PubChem CID 114102554) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
PubChem CID114102554
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine
SMILESCCCC1(CNc2nc(NCC)ncc2C)CC1
InChIInChI=1S/C14H24N4/c1-4-6-14(7-8-14)10-17-12-11(3)9-16-13(18-12)15-5-2/h9H,4-8,10H2,1-3H3,(H2,15,16,17,18)
InChIKeyXXGFMVWJVHSCCR-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine (CID 114102554) is 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine is CCCC1(CNc2nc(NCC)ncc2C)CC1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is XXGFMVWJVHSCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-6-14(7-8-14)10-17-12-11(3)9-16-13(18-12)15-5-2/h9H,4-8,10H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-[(1-propylcyclopropyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 114102554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).