N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine

C14H24N4O — CID 50985452

IUPACN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1Nc1nc(C)ncc1CC
InChIInChI=1S/C14H24N4O/c1-5-11-7-15-10(3)16-14(11)17-12-8-18(4)9-13(12)19-6-2/h7,12-13H,5-6,8-9H2,1-4H3,(H,15,16,17)/t12-,13-/m0/s1
InChIKeyPYLXTLSVPANPHF-STQMWFEESA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds5

About N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine

N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 50985452) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID50985452
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1Nc1nc(C)ncc1CC
InChIInChI=1S/C14H24N4O/c1-5-11-7-15-10(3)16-14(11)17-12-8-18(4)9-13(12)19-6-2/h7,12-13H,5-6,8-9H2,1-4H3,(H,15,16,17)/t12-,13-/m0/s1
InChIKeyPYLXTLSVPANPHF-STQMWFEESA-N
XLogP1.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 72924435
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CID 145874812
CID 145874812
CID 145909717
CID 145909717
CID 50948859
CID 50948859
CID 72854104
CID 72854104
CID 72873918
CID 72873918
CID 72932270
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CID 95598765
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CID 171359665
CID 171359665

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine (CID 50985452) is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine is CCO[C@H]1CN(C)C[C@@H]1Nc1nc(C)ncc1CC.
What is the InChIKey of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is PYLXTLSVPANPHF-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-11-7-15-10(3)16-14(11)17-12-8-18(4)9-13(12)19-6-2/h7,12-13H,5-6,8-9H2,1-4H3,(H,15,16,17)/t12-,13-/m0/s1.
What are the key properties of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine?
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50985452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).