4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H26N4 — CID 80961252

IUPAC4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-11-5-7-12(8-6-11)17-14-9-13(16)18-15(19-14)10(2)3/h9-12H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyANJPTHRJODHRRV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.56
Rot. Bonds4

About 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80961252) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80961252
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-4-11-5-7-12(8-6-11)17-14-9-13(16)18-15(19-14)10(2)3/h9-12H,4-8H2,1-3H3,(H3,16,17,18,19)
InChIKeyANJPTHRJODHRRV-UHFFFAOYSA-N
XLogP3.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethylcyclohexyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961149
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959178
4-N-(4-ethylcyclohexyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771197
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]cyclobutan-1-ol
CID 80958339
2-propan-2-yl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
CID 103065324
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
6-N-(4-ethylcyclohexyl)pyridine-2,6-diamine
CID 80647393
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
4-N-cyclopropyl-2-propylpyrimidine-4,6-diamine
CID 80945616

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80961252) is 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCC1CCC(Nc2cc(N)nc(C(C)C)n2)CC1.
What is the InChIKey of 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ANJPTHRJODHRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-11-5-7-12(8-6-11)17-14-9-13(16)18-15(19-14)10(2)3/h9-12H,4-8H2,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).