4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine

C13H22N4 — CID 80774891

IUPAC4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NCC)ncc1C)C1CC1
InChIInChI=1S/C13H22N4/c1-4-8-17(11-6-7-11)12-10(3)9-15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLXLLKRJRDVEHID-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds6

About 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine (PubChem CID 80774891) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
PubChem CID80774891
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine
SMILESCCCN(c1nc(NCC)ncc1C)C1CC1
InChIInChI=1S/C13H22N4/c1-4-8-17(11-6-7-11)12-10(3)9-15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyLXLLKRJRDVEHID-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 80821171
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808866
2-[cyclopropyl-[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]ethanol
CID 80811535
4-N,4-N-dibutyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80754474
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
2-N-ethyl-4-N,5-dimethyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80766637
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
4-N-cyclopropyl-2-N,6-diethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324607
2-N-ethyl-4-N,5-dimethyl-4-N-(3-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80809604
5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80845128
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-cyclohexylamino]ethanol
CID 80811147
4-N-(cyclopropylmethyl)-5-methyl-2-N,4-N-dipropylpyrimidine-2,4-diamine
CID 80799404

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine (CID 80774891) is 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine is CCCN(c1nc(NCC)ncc1C)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is LXLLKRJRDVEHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-8-17(11-6-7-11)12-10(3)9-15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-ethyl-5-methyl-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80774891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).