2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C20H28N6O2 — CID 129475129

IUPAC2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCc3nn(C)c(=O)cc3C2)ncn1
InChIInChI=1S/C20H28N6O2/c1-13(2)20-16(5-4-8-28-20)23-17-10-18(22-12-21-17)26-7-6-15-14(11-26)9-19(27)25(3)24-15/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,21,22,23)/t16-,20-/m0/s1
InChIKeyIELDVWNLXCMDPO-JXFKEZNVSA-N
MW384.48 g/mol
LogP1.75
Rot. Bonds4

About 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 129475129) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID129475129
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCc3nn(C)c(=O)cc3C2)ncn1
InChIInChI=1S/C20H28N6O2/c1-13(2)20-16(5-4-8-28-20)23-17-10-18(22-12-21-17)26-7-6-15-14(11-26)9-19(27)25(3)24-15/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,21,22,23)/t16-,20-/m0/s1
InChIKeyIELDVWNLXCMDPO-JXFKEZNVSA-N
XLogP1.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 129475129) is 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCc3nn(C)c(=O)cc3C2)ncn1.
What is the InChIKey of 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is IELDVWNLXCMDPO-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-13(2)20-16(5-4-8-28-20)23-17-10-18(22-12-21-17)26-7-6-15-14(11-26)9-19(27)25(3)24-15/h9-10,12-13,16,20H,4-8,11H2,1-3H3,(H,21,22,23)/t16-,20-/m0/s1.
What are the key properties of 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-[[(2S,3S)-2-propan-2-yloxan-3-yl]amino]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 129475129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).