N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine

C16H27N3 — CID 65405998

IUPACN-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCC(CC)C2)n1
InChIInChI=1S/C16H27N3/c1-4-7-14-11-15(17-6-3)19-16(18-14)13-9-8-12(5-2)10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyMKCHBAFALFICJU-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds6

About N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine

N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine (PubChem CID 65405998) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
PubChem CID65405998
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C2CCC(CC)C2)n1
InChIInChI=1S/C16H27N3/c1-4-7-14-11-15(17-6-3)19-16(18-14)13-9-8-12(5-2)10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyMKCHBAFALFICJU-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 24994634
CID 24994634
CID 24797604
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CID 24798144
CID 24798144
CID 24798232
CID 24798232
CID 24994542
CID 24994542
CID 53257796
CID 53257796
CID 59777258
CID 59777258
CID 59777338
CID 59777338
CID 59777341
CID 59777341
CID 46881498
CID 46881498
CID 24797956
CID 24797956
CID 24992077
CID 24992077

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine (CID 65405998) is N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C2CCC(CC)C2)n1.
What is the InChIKey of N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine?
The InChIKey is MKCHBAFALFICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-7-14-11-15(17-6-3)19-16(18-14)13-9-8-12(5-2)10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine?
N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylcyclopentyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 65405998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).