4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine

C13H20N4 — CID 80847025

IUPAC4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C13H20N4/c1-14-12-6-13(17-8-16-12)15-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyOALPUONYDDURTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.37
Rot. Bonds6

About 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80847025) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80847025
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C2CC2)C2CC2)ncn1
InChIInChI=1S/C13H20N4/c1-14-12-6-13(17-8-16-12)15-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H2,14,15,16,17)
InChIKeyOALPUONYDDURTD-UHFFFAOYSA-N
XLogP2.37
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
1-methoxy-3-[[6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80834963
4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
CID 129414271
2-[[6-(methylamino)pyrimidin-4-yl]amino]-1-thiophen-3-ylethanol
CID 114188663
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
6-N-methyl-4-N-[2-(oxan-4-yl)ethyl]pyrimidine-4,6-diamine
CID 115265570
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-methyl-1-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842436
6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80805097
6-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80817082
6-N-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)pyrimidine-4,6-diamine
CID 114267447
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
CID 80941585

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine (CID 80847025) is 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(NCC(C2CC2)C2CC2)ncn1.
What is the InChIKey of 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is OALPUONYDDURTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-14-12-6-13(17-8-16-12)15-7-11(9-2-3-9)10-4-5-10/h6,8-11H,2-5,7H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dicyclopropylethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80847025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).