N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide

C15H25N5O2 — CID 133133456

IUPACN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCCC[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CCOC
InChIInChI=1S/C15H25N5O2/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19)/t11-,12-/m1/s1
InChIKeyKEOUMVRFSOOMRE-VXGBXAGGSA-N
MW307.40 g/mol
LogP0.82
Rot. Bonds7

About N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide

N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 133133456) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID133133456
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCCC[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CCOC
InChIInChI=1S/C15H25N5O2/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19)/t11-,12-/m1/s1
InChIKeyKEOUMVRFSOOMRE-VXGBXAGGSA-N
XLogP0.82
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide (CID 133133456) is N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide is CCC[C@@H]1CN(c2ccnc(N)n2)C[C@H]1NC(=O)CCOC.
What is the InChIKey of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is KEOUMVRFSOOMRE-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-3-4-11-9-20(13-5-7-17-15(16)19-13)10-12(11)18-14(21)6-8-22-2/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,18,21)(H2,16,17,19)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 307.40 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-(2-aminopyrimidin-4-yl)-4-propylpyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 133133456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).