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

C14H24N4 — CID 97186978

IUPAC5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
SMILESCCCN1CCC[C@@H](Nc2ncc(CC)cn2)C1
InChIInChI=1S/C14H24N4/c1-3-7-18-8-5-6-13(11-18)17-14-15-9-12(4-2)10-16-14/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17)/t13-/m1/s1
InChIKeyZXTGLQQRSKBESN-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.33
Rot. Bonds5

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

5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine (PubChem CID 97186978) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
PubChem CID97186978
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine
SMILESCCCN1CCC[C@@H](Nc2ncc(CC)cn2)C1
InChIInChI=1S/C14H24N4/c1-3-7-18-8-5-6-13(11-18)17-14-15-9-12(4-2)10-16-14/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17)/t13-/m1/s1
InChIKeyZXTGLQQRSKBESN-CYBMUJFWSA-N
XLogP2.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propyl-N-(1-propylpyrrolidin-3-yl)pyrimidin-2-amine
CID 131936847
N-[(5-ethyl-2-pyridinyl)methyl]-1-propylpiperidin-3-amine
CID 131951338
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447
4-amino-2-[(1-propylpyrrolidin-3-yl)amino]pyrimidine-5-carbonitrile
CID 131892795
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
1-(5-ethylpyrimidin-2-yl)-N-methylpiperidin-3-amine
CID 116976178
[(3R,6S)-6-[(5-ethylpyrimidin-2-yl)amino]-1-(oxan-4-yl)azepan-3-yl]-pyrrolidin-1-ylmethanone
CID 171386468
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
N-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-prop-2-enylpyrimidin-2-amine
CID 141133441
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
N-(1-ethylpiperidin-3-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897250

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine (CID 97186978) is 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine is CCCN1CCC[C@@H](Nc2ncc(CC)cn2)C1.
What is the InChIKey of 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine?
The InChIKey is ZXTGLQQRSKBESN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-7-18-8-5-6-13(11-18)17-14-15-9-12(4-2)10-16-14/h9-10,13H,3-8,11H2,1-2H3,(H,15,16,17)/t13-/m1/s1.
What are the key properties of 5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine?
5-ethyl-N-[(3R)-1-propylpiperidin-3-yl]pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.33, 5 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]pyrimidin-2-amine is sourced from PubChem (CID 97186978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).