(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde

C8H13N5O2 — CID 135393520

IUPAC(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
SMILESC[C@@H]1CN=C2NC(N)NC(=O)C2N1C=O
InChIInChI=1S/C8H13N5O2/c1-4-2-10-6-5(13(4)3-14)7(15)12-8(9)11-6/h3-5,8H,2,9H2,1H3,(H,10,11)(H,12,15)/t4-,5?,8?/m1/s1
InChIKeyVGLPRUPKJWKIAC-YLTAPMQJSA-N
MW211.22 g/mol
LogP-2.42
Rot. Bonds1

About (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde

(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde (PubChem CID 135393520) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde.

Molecular Properties

Compound Name(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
PubChem CID135393520
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
SMILESC[C@@H]1CN=C2NC(N)NC(=O)C2N1C=O
InChIInChI=1S/C8H13N5O2/c1-4-2-10-6-5(13(4)3-14)7(15)12-8(9)11-6/h3-5,8H,2,9H2,1H3,(H,10,11)(H,12,15)/t4-,5?,8?/m1/s1
InChIKeyVGLPRUPKJWKIAC-YLTAPMQJSA-N
XLogP-2.42
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-2.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
6,6-Dimethyltetrahydro-pterin
CID 129692030
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
2-amino-4-oxo-2,3,4a,5,6,7-hexahydro-1H-pteridine-6-carbaldehyde
CID 54049739
1,3,6-Trimethyl-7-methoxy-2,4-dioxo-tetrahydro-pteridin
CID 129656934
2-Amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 73346152
2-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
2-amino-1,2-dimethyl-4a,5-dihydro-3H-pteridin-4-one
CID 20082241
2-(methylamino)-2,3,4a,7-tetrahydro-1H-pteridin-4-one
CID 53695782

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde?
The IUPAC name of (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde (CID 135393520) is (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde.
What is the SMILES notation for (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde?
The canonical SMILES for (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde is C[C@@H]1CN=C2NC(N)NC(=O)C2N1C=O.
What is the InChIKey of (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde?
The InChIKey is VGLPRUPKJWKIAC-YLTAPMQJSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-4-2-10-6-5(13(4)3-14)7(15)12-8(9)11-6/h3-5,8H,2,9H2,1H3,(H,10,11)(H,12,15)/t4-,5?,8?/m1/s1.
What are the key properties of (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde?
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde has a molecular weight of 211.22 g/mol, XLogP of -2.42, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde is sourced from PubChem (CID 135393520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).