(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one

C15H22N6O2 — CID 10358500

IUPAC(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one
SMILESCN1CCCN(c2ncnc3c2NC(=O)C2C[C@@H](O)CN32)CC1
InChIInChI=1S/C15H22N6O2/c1-19-3-2-4-20(6-5-19)13-12-14(17-9-16-13)21-8-10(22)7-11(21)15(23)18-12/h9-11,22H,2-8H2,1H3,(H,18,23)/t10-,11?/m1/s1
InChIKeyQNAGPYVUJJRMEL-NFJWQWPMSA-N
MW318.38 g/mol
LogP-0.49
Rot. Bonds1

About (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one

(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one (PubChem CID 10358500) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one
PubChem CID10358500
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one
SMILESCN1CCCN(c2ncnc3c2NC(=O)C2C[C@@H](O)CN32)CC1
InChIInChI=1S/C15H22N6O2/c1-19-3-2-4-20(6-5-19)13-12-14(17-9-16-13)21-8-10(22)7-11(21)15(23)18-12/h9-11,22H,2-8H2,1H3,(H,18,23)/t10-,11?/m1/s1
InChIKeyQNAGPYVUJJRMEL-NFJWQWPMSA-N
XLogP-0.49
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one with MolForge

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Launch Full Analysis

Related Compounds

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4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
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(5R,7S,18R,20S,31R,33S)-5,18,31-trihydroxy-3,9,16,22,29,35,40,41,42-nonazaheptacyclo[34.3.1.110,14.123,27.03,7.016,20.029,33]dotetraconta-1(40),10,12,14(42),23,25,27(41),36,38-nonaene-2,8,15,21,28,34-hexone
CID 101409611
5-methyl-4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-ol
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CID 122560587
[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
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4-(4-methylpiperazin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one (CID 10358500) is (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one is CN1CCCN(c2ncnc3c2NC(=O)C2C[C@@H](O)CN32)CC1.
What is the InChIKey of (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one?
The InChIKey is QNAGPYVUJJRMEL-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-19-3-2-4-20(6-5-19)13-12-14(17-9-16-13)21-8-10(22)7-11(21)15(23)18-12/h9-11,22H,2-8H2,1H3,(H,18,23)/t10-,11?/m1/s1.
What are the key properties of (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one?
(8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one has a molecular weight of 318.38 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-hydroxy-4-(4-methyl-1,4-diazepan-1-yl)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 10358500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).