5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine

C15H26N4 — CID 97195992

IUPAC5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
SMILESCCCN1CCC[C@H](CNc2ncc(CC)cn2)C1
InChIInChI=1S/C15H26N4/c1-3-7-19-8-5-6-14(12-19)11-18-15-16-9-13(4-2)10-17-15/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,17,18)/t14-/m1/s1
InChIKeyPXFILULMWDLJIJ-CQSZACIVSA-N
MW262.40 g/mol
LogP2.57
Rot. Bonds6

About 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine

5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 97195992) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID97195992
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine
SMILESCCCN1CCC[C@H](CNc2ncc(CC)cn2)C1
InChIInChI=1S/C15H26N4/c1-3-7-19-8-5-6-14(12-19)11-18-15-16-9-13(4-2)10-17-15/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,17,18)/t14-/m1/s1
InChIKeyPXFILULMWDLJIJ-CQSZACIVSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine (CID 97195992) is 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine is CCCN1CCC[C@H](CNc2ncc(CC)cn2)C1.
What is the InChIKey of 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is PXFILULMWDLJIJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-7-19-8-5-6-14(12-19)11-18-15-16-9-13(4-2)10-17-15/h9-10,14H,3-8,11-12H2,1-2H3,(H,16,17,18)/t14-/m1/s1.
What are the key properties of 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine?
5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[(3R)-1-propylpiperidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 97195992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).