5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine

C15H26N4 — CID 95147589

IUPAC5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)C[C@H]1CCCCN1C
InChIInChI=1S/C15H26N4/c1-5-13-10-16-12(2)17-15(13)19(4)11-14-8-6-7-9-18(14)3/h10,14H,5-9,11H2,1-4H3/t14-/m1/s1
InChIKeyOPOXBNFANZAVQO-CQSZACIVSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds4

About 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine

5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 95147589) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID95147589
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCCc1cnc(C)nc1N(C)C[C@H]1CCCCN1C
InChIInChI=1S/C15H26N4/c1-5-13-10-16-12(2)17-15(13)19(4)11-14-8-6-7-9-18(14)3/h10,14H,5-9,11H2,1-4H3/t14-/m1/s1
InChIKeyOPOXBNFANZAVQO-CQSZACIVSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine (CID 95147589) is 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine is CCc1cnc(C)nc1N(C)C[C@H]1CCCCN1C.
What is the InChIKey of 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is OPOXBNFANZAVQO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-13-10-16-12(2)17-15(13)19(4)11-14-8-6-7-9-18(14)3/h10,14H,5-9,11H2,1-4H3/t14-/m1/s1.
What are the key properties of 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine?
5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,2-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95147589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).