N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

C22H33N5O3 — CID 137420280

IUPACN-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(OC3CCOCC3)ncc([C@@H]3CCCN(C)C3)c2n1
InChIInChI=1S/C22H33N5O3/c1-15(14-28-3)25-22-24-12-19-20(26-22)18(16-5-4-8-27(2)13-16)11-23-21(19)30-17-6-9-29-10-7-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,25,26)/t15-,16+/m0/s1
InChIKeyLTOPJBOQSAYQTJ-JKSUJKDBSA-N
MW415.54 g/mol
LogP2.84
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine

N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 137420280) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
PubChem CID137420280
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
SMILESCOC[C@H](C)Nc1ncc2c(OC3CCOCC3)ncc([C@@H]3CCCN(C)C3)c2n1
InChIInChI=1S/C22H33N5O3/c1-15(14-28-3)25-22-24-12-19-20(26-22)18(16-5-4-8-27(2)13-16)11-23-21(19)30-17-6-9-29-10-7-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,25,26)/t15-,16+/m0/s1
InChIKeyLTOPJBOQSAYQTJ-JKSUJKDBSA-N
XLogP2.84
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-5-(oxan-4-yloxy)-8-[(3S)-piperidin-3-yl]pyrido[4,3-d]pyrimidin-2-amine
CID 137420260
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155100440
8-(1,4-dioxaspiro[4.5]decan-8-yl)-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137409168
8-iodo-N-(1-methoxypropan-2-yl)-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137409197
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[(4R)-1,2,2-trimethylpiperidin-4-yl]oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419907
4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120196
4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419878
4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420172
3-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]benzenesulfonamide
CID 137420298
N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 142517727
4-[5-[3-(morpholin-4-ylmethyl)cyclobutyl]oxy-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420267
4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420276

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine (CID 137420280) is N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is COC[C@H](C)Nc1ncc2c(OC3CCOCC3)ncc([C@@H]3CCCN(C)C3)c2n1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is LTOPJBOQSAYQTJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-15(14-28-3)25-22-24-12-19-20(26-22)18(16-5-4-8-27(2)13-16)11-23-21(19)30-17-6-9-29-10-7-17/h11-12,15-17H,4-10,13-14H2,1-3H3,(H,24,25,26)/t15-,16+/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine?
N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 415.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-8-[(3S)-1-methylpiperidin-3-yl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 137420280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).