4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine

C11H18N4 — CID 80776397

IUPAC4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-3-12-11-13-8-7-10(14-11)15(4-2)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyALFIOOQYYRCYLP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.90
Rot. Bonds5

About 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine

4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine (PubChem CID 80776397) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
PubChem CID80776397
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC)C2CC2)n1
InChIInChI=1S/C11H18N4/c1-3-12-11-13-8-7-10(14-11)15(4-2)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyALFIOOQYYRCYLP-UHFFFAOYSA-N
XLogP1.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815200
N-cyclopentyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80906590
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
5-bromo-4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80775626
4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890433
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832495
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882155

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine (CID 80776397) is 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine is CCNc1nccc(N(CC)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
The InChIKey is ALFIOOQYYRCYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-12-11-13-8-7-10(14-11)15(4-2)9-5-6-9/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.90, 5 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,4-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80776397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).