N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine

C12H20N4 — CID 80766699

IUPACN-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCCCC2C)n1
InChIInChI=1S/C12H20N4/c1-3-13-12-14-8-7-11(15-12)16-9-5-4-6-10(16)2/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeyKWDVUXUIWYZTQK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds3

About N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine

N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 80766699) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID80766699
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCCNc1nccc(N2CCCCC2C)n1
InChIInChI=1S/C12H20N4/c1-3-13-12-14-8-7-11(15-12)16-9-5-4-6-10(16)2/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15)
InChIKeyKWDVUXUIWYZTQK-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80835435
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-benzyl-4-(2-ethylpiperidin-1-yl)pyrimidin-2-amine
CID 112889620
1-[2-(ethylamino)pyrimidin-4-yl]piperidin-3-ol
CID 53485967
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethylpyrimidin-2-amine
CID 80830977
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-ethyl-6-(2-methylazepan-1-yl)pyrazin-2-amine
CID 80835332
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
4-(2-ethylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112893334
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887792
N-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-2-amine
CID 80851519

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine (CID 80766699) is N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine is CCNc1nccc(N2CCCCC2C)n1.
What is the InChIKey of N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is KWDVUXUIWYZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-13-12-14-8-7-11(15-12)16-9-5-4-6-10(16)2/h7-8,10H,3-6,9H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine?
N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80766699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).