N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide

C20H26N4O — CID 92585527

IUPACN-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-4-19(25)22-17(14-8-6-5-7-9-14)12-16-13-18(24(2)3)23-20(21-16)15-10-11-15/h5-9,13,15,17H,4,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyXLPNKGRAYBBZGM-KRWDZBQOSA-N
MW338.46 g/mol
LogP3.23
Rot. Bonds7

About N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide

N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide (PubChem CID 92585527) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
PubChem CID92585527
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
SMILESCCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-4-19(25)22-17(14-8-6-5-7-9-14)12-16-13-18(24(2)3)23-20(21-16)15-10-11-15/h5-9,13,15,17H,4,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyXLPNKGRAYBBZGM-KRWDZBQOSA-N
XLogP3.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide?
The IUPAC name of N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide (CID 92585527) is N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide.
What is the SMILES notation for N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide?
The canonical SMILES for N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide is CCC(=O)N[C@@H](Cc1cc(N(C)C)nc(C2CC2)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide?
The InChIKey is XLPNKGRAYBBZGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-19(25)22-17(14-8-6-5-7-9-14)12-16-13-18(24(2)3)23-20(21-16)15-10-11-15/h5-9,13,15,17H,4,10-12H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide?
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide is sourced from PubChem (CID 92585527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).