N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C20H24N4O4 — CID 97275621

IUPACN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cccc2c1OC[C@H](CNC(=O)c1cnc(N3CCOCC3)nc1)C2
InChIInChI=1S/C20H24N4O4/c1-26-17-4-2-3-15-9-14(13-28-18(15)17)10-21-19(25)16-11-22-20(23-12-16)24-5-7-27-8-6-24/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeySBYUVGVKLPZOFG-AWEZNQCLSA-N
MW384.44 g/mol
LogP1.30
Rot. Bonds5

About N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 97275621) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID97275621
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOc1cccc2c1OC[C@H](CNC(=O)c1cnc(N3CCOCC3)nc1)C2
InChIInChI=1S/C20H24N4O4/c1-26-17-4-2-3-15-9-14(13-28-18(15)17)10-21-19(25)16-11-22-20(23-12-16)24-5-7-27-8-6-24/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeySBYUVGVKLPZOFG-AWEZNQCLSA-N
XLogP1.30
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 97275621) is N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is COc1cccc2c1OC[C@H](CNC(=O)c1cnc(N3CCOCC3)nc1)C2.
What is the InChIKey of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is SBYUVGVKLPZOFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-26-17-4-2-3-15-9-14(13-28-18(15)17)10-21-19(25)16-11-22-20(23-12-16)24-5-7-27-8-6-24/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97275621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).