[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

C20H25N5O2 — CID 95545373

IUPAC[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESCN(C[C@H]1CCCCO1)c1ncnc2c1CCN(C(=O)c1cccnc1)C2
InChIInChI=1S/C20H25N5O2/c1-24(12-16-6-2-3-10-27-16)19-17-7-9-25(13-18(17)22-14-23-19)20(26)15-5-4-8-21-11-15/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyLNQUWMINYALJIM-MRXNPFEDSA-N
MW367.45 g/mol
LogP2.08
Rot. Bonds4

About [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (PubChem CID 95545373) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
PubChem CID95545373
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESCN(C[C@H]1CCCCO1)c1ncnc2c1CCN(C(=O)c1cccnc1)C2
InChIInChI=1S/C20H25N5O2/c1-24(12-16-6-2-3-10-27-16)19-17-7-9-25(13-18(17)22-14-23-19)20(26)15-5-4-8-21-11-15/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyLNQUWMINYALJIM-MRXNPFEDSA-N
XLogP2.08
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[2-[(3S)-oxan-3-yl]ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 95551667
[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56868340
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
[4-(2-propylsulfanylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56917422
[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-3-ylmethanone
CID 133136872
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
2-[(2R)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridine-3-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681515
N-ethyl-N-(oxan-2-ylmethyl)-2-pyridin-3-yloxyacetamide
CID 91841175
1-[2-(dimethylamino)-4-[methyl-[2-(oxan-2-yl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56875461
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
6-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271711

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (CID 95545373) is [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is CN(C[C@H]1CCCCO1)c1ncnc2c1CCN(C(=O)c1cccnc1)C2.
What is the InChIKey of [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The InChIKey is LNQUWMINYALJIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24(12-16-6-2-3-10-27-16)19-17-7-9-25(13-18(17)22-14-23-19)20(26)15-5-4-8-21-11-15/h4-5,8,11,14,16H,2-3,6-7,9-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
[4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[[(2R)-oxan-2-yl]methyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95545373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).