4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine

C13H22N4 — CID 80954276

IUPAC4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC)C2CC2)n1
InChIInChI=1S/C13H22N4/c1-4-6-11-15-12(14-3)9-13(16-11)17(5-2)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyUHYLTXUCAYFPEL-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.46
Rot. Bonds6

About 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine (PubChem CID 80954276) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
PubChem CID80954276
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)cc(N(CC)C2CC2)n1
InChIInChI=1S/C13H22N4/c1-4-6-11-15-12(14-3)9-13(16-11)17(5-2)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyUHYLTXUCAYFPEL-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80954538
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
2-[cyclopentyl-[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80942549
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967655
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941086
6-N-methyl-4-N,4-N,2-tripropylpyrimidine-4,6-diamine
CID 80946205
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
6-N-methyl-4-N,4-N-bis(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954728
2-ethyl-4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80934216
4-N-cyclohexyl-4-N,2-diethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939490
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955285

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine (CID 80954276) is 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)cc(N(CC)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine?
The InChIKey is UHYLTXUCAYFPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-6-11-15-12(14-3)9-13(16-11)17(5-2)10-7-8-10/h9-10H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80954276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).