N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C12H20N4 — CID 106643619

IUPACN-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCNC1)c1ccncn1
InChIInChI=1S/C12H20N4/c1-2-16(12-5-7-14-10-15-12)9-11-4-3-6-13-8-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3
InChIKeyDOQWZLCDWRDHGF-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 106643619) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID106643619
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCCN(CC1CCCNC1)c1ccncn1
InChIInChI=1S/C12H20N4/c1-2-16(12-5-7-14-10-15-12)9-11-4-3-6-13-8-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3
InChIKeyDOQWZLCDWRDHGF-UHFFFAOYSA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
2-[ethyl(piperidin-3-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552798
3-[ethyl(piperidin-3-ylmethyl)amino]pyrazine-2-carbonitrile
CID 106643570
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
N-ethyl-N-(piperidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106643419
N,6-diethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106643375
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
5-iodo-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642624
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 106643619) is N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is CCN(CC1CCCNC1)c1ccncn1.
What is the InChIKey of N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is DOQWZLCDWRDHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-16(12-5-7-14-10-15-12)9-11-4-3-6-13-8-11/h5,7,10-11,13H,2-4,6,8-9H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106643619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).