3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

C22H34N4O2 — CID 7236866

IUPAC3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCc1nc2c(c(N3C[C@H](C)O[C@@H](C)C3)n1)CN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C22H34N4O2/c1-15-12-26(13-16(2)28-15)22-19-14-25(11-10-20(19)23-17(3)24-22)21(27)9-8-18-6-4-5-7-18/h15-16,18H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyKONXBZBAWMRDAV-HOTGVXAUSA-N
MW386.54 g/mol
LogP3.25
Rot. Bonds4

About 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one

3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (PubChem CID 7236866) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
PubChem CID7236866
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
SMILESCc1nc2c(c(N3C[C@H](C)O[C@@H](C)C3)n1)CN(C(=O)CCC1CCCC1)CC2
InChIInChI=1S/C22H34N4O2/c1-15-12-26(13-16(2)28-15)22-19-14-25(11-10-20(19)23-17(3)24-22)21(27)9-8-18-6-4-5-7-18/h15-16,18H,4-14H2,1-3H3/t15-,16-/m0/s1
InChIKeyKONXBZBAWMRDAV-HOTGVXAUSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one (CID 7236866) is 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is Cc1nc2c(c(N3C[C@H](C)O[C@@H](C)C3)n1)CN(C(=O)CCC1CCCC1)CC2.
What is the InChIKey of 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
The InChIKey is KONXBZBAWMRDAV-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-15-12-26(13-16(2)28-15)22-19-14-25(11-10-20(19)23-17(3)24-22)21(27)9-8-18-6-4-5-7-18/h15-16,18H,4-14H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one?
3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one has a molecular weight of 386.54 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 7236866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).