4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine

C17H24N4O — CID 112915344

IUPAC4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(NCc2ccco2)n1
InChIInChI=1S/C17H24N4O/c1-3-14-7-4-5-9-21(14)16-11-13(2)19-17(20-16)18-12-15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3,(H,18,19,20)
InChIKeyUBGPTZSKGKFWRB-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.76
Rot. Bonds5

About 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine

4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine (PubChem CID 112915344) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
PubChem CID112915344
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(NCc2ccco2)n1
InChIInChI=1S/C17H24N4O/c1-3-14-7-4-5-9-21(14)16-11-13(2)19-17(20-16)18-12-15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3,(H,18,19,20)
InChIKeyUBGPTZSKGKFWRB-UHFFFAOYSA-N
XLogP3.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine
CID 112915320
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
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-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 112925899
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine (CID 112915344) is 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(NCc2ccco2)n1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
The InChIKey is UBGPTZSKGKFWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-14-7-4-5-9-21(14)16-11-13(2)19-17(20-16)18-12-15-8-6-10-22-15/h6,8,10-11,14H,3-5,7,9,12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine?
4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-N-(furan-2-ylmethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).