4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H26N4 — CID 80959948

IUPAC4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(C)C)n2)C1C
InChIInChI=1S/C15H26N4/c1-5-11-6-7-12(10(11)4)17-14-8-13(16)18-15(19-14)9(2)3/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyLFSSRUIFMQKZOB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds4

About 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80959948) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80959948
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCC1CCC(Nc2cc(N)nc(C(C)C)n2)C1C
InChIInChI=1S/C15H26N4/c1-5-11-6-7-12(10(11)4)17-14-8-13(16)18-15(19-14)9(2)3/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19)
InChIKeyLFSSRUIFMQKZOB-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-ethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961252
4-N-cyclooctyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956154
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
CID 64922502
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
N-(3-ethyl-2-methylcyclopentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65273943
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
CID 80969799
4-N-(4,4-dimethylcyclohexyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959178
2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
CID 80840678
2-N-(3-ethyl-2-methylcyclopentyl)-6-methoxypyridine-2,3-diamine
CID 115320867
2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
CID 83077253
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80959948) is 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCC1CCC(Nc2cc(N)nc(C(C)C)n2)C1C.
What is the InChIKey of 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LFSSRUIFMQKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-11-6-7-12(10(11)4)17-14-8-13(16)18-15(19-14)9(2)3/h8-12H,5-7H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).