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

C14H22N4 — CID 80941585

IUPAC4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H22N4/c1-2-13-17-12(15)7-14(18-13)16-8-11(9-3-4-9)10-5-6-10/h7,9-11H,2-6,8H2,1H3,(H3,15,16,17,18)
InChIKeyWXTMELLVIHECHX-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.47
Rot. Bonds6

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

4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine (PubChem CID 80941585) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
PubChem CID80941585
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)cc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H22N4/c1-2-13-17-12(15)7-14(18-13)16-8-11(9-3-4-9)10-5-6-10/h7,9-11H,2-6,8H2,1H3,(H3,15,16,17,18)
InChIKeyWXTMELLVIHECHX-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopentylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933112
4-N-(cyclohexylmethyl)-2-ethylpyrimidine-4,6-diamine
CID 80933363
2-ethyl-4-N-(3-methoxy-2-methylpropyl)pyrimidine-4,6-diamine
CID 80934673
1-cyclopropyl-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80937078
4-N-cyclobutyl-2-ethylpyrimidine-4,6-diamine
CID 80934753
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80933367
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80934639
2-ethyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935409
4-N-(2,2-dimethylcyclopropyl)-2-ethylpyrimidine-4,6-diamine
CID 80935033
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine (CID 80941585) is 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine is CCc1nc(N)cc(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine?
The InChIKey is WXTMELLVIHECHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-13-17-12(15)7-14(18-13)16-8-11(9-3-4-9)10-5-6-10/h7,9-11H,2-6,8H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine?
4-N-(2,2-dicyclopropylethyl)-2-ethylpyrimidine-4,6-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.47, 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)-2-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80941585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).