N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine

C12H20N4O — CID 86334946

IUPACN-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine
SMILESCCNc1ccnc(OC[C@H]2CCCNC2)n1
InChIInChI=1S/C12H20N4O/c1-2-14-11-5-7-15-12(16-11)17-9-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyWIESPNULHXJPJD-JTQLQIEISA-N
MW236.32 g/mol
LogP1.29
Rot. Bonds5

About N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine

N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine (PubChem CID 86334946) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine
PubChem CID86334946
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine
SMILESCCNc1ccnc(OC[C@H]2CCCNC2)n1
InChIInChI=1S/C12H20N4O/c1-2-14-11-5-7-15-12(16-11)17-9-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyWIESPNULHXJPJD-JTQLQIEISA-N
XLogP1.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-pyrrolidin-3-yloxypyrimidin-4-amine
CID 129317548
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
tert-butyl 3-[[4-(ethylamino)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 71302713
2-methylsulfanyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97165005
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3R)-3-[(2-propylphenoxy)methyl]piperidine
CID 86322759
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
4-(cyclohexylmethoxy)-N-ethylpyridin-2-amine
CID 113368141
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine (CID 86334946) is N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine is CCNc1ccnc(OC[C@H]2CCCNC2)n1.
What is the InChIKey of N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine?
The InChIKey is WIESPNULHXJPJD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-14-11-5-7-15-12(16-11)17-9-10-4-3-6-13-8-10/h5,7,10,13H,2-4,6,8-9H2,1H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine?
N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(3S)-piperidin-3-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 86334946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).