6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C18H25N5O — CID 124735936

IUPAC6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ncn1
InChIInChI=1S/C18H25N5O/c1-3-24-18-10-17(20-13-21-18)22-16-7-9-23(11-14(16)2)12-15-6-4-5-8-19-15/h4-6,8,10,13-14,16H,3,7,9,11-12H2,1-2H3,(H,20,21,22)/t14-,16+/m1/s1
InChIKeyOGFBGAGICXUEKQ-ZBFHGGJFSA-N
MW327.43 g/mol
LogP2.59
Rot. Bonds6

About 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 124735936) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID124735936
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESCCOc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ncn1
InChIInChI=1S/C18H25N5O/c1-3-24-18-10-17(20-13-21-18)22-16-7-9-23(11-14(16)2)12-15-6-4-5-8-19-15/h4-6,8,10,13-14,16H,3,7,9,11-12H2,1-2H3,(H,20,21,22)/t14-,16+/m1/s1
InChIKeyOGFBGAGICXUEKQ-ZBFHGGJFSA-N
XLogP2.59
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
6-ethoxy-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66330184
N-[(3S,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 100857566
N-[(3R,4S)-1-(3-ethoxypropyl)-3-methylpiperidin-4-yl]pyridin-2-amine
CID 97029599
(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
2-fluoro-6-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 98768835
2-fluoro-6-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]benzonitrile
CID 95980421
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 124735936) is 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is CCOc1cc(N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)ncn1.
What is the InChIKey of 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is OGFBGAGICXUEKQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-24-18-10-17(20-13-21-18)22-16-7-9-23(11-14(16)2)12-15-6-4-5-8-19-15/h4-6,8,10,13-14,16H,3,7,9,11-12H2,1-2H3,(H,20,21,22)/t14-,16+/m1/s1.
What are the key properties of 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 124735936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).