N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine

C13H22N4 — CID 80798660

IUPACN-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCCC2CC)n1
InChIInChI=1S/C13H22N4/c1-4-11-7-6-8-17(11)12-9-10(3)15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyYDPCKZUEOZDNDM-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.60
Rot. Bonds4

About N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine

N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 80798660) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID80798660
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCCC2CC)n1
InChIInChI=1S/C13H22N4/c1-4-11-7-6-8-17(11)12-9-10(3)15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyYDPCKZUEOZDNDM-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915344
4-methyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-2-amine
CID 83056953
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
N-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80798245
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80774727

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine (CID 80798660) is N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(N2CCCC2CC)n1.
What is the InChIKey of N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is YDPCKZUEOZDNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-11-7-6-8-17(11)12-9-10(3)15-13(16-12)14-5-2/h9,11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine?
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80798660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).