(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione

C11H16N4O2 — CID 136866921

IUPAC(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)[C@H](CC(C)C)N2
InChIInChI=1S/C11H16N4O2/c1-5(2)4-7-10(16)15-8-9(14-7)12-6(3)13-11(8)17/h5,7H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)/t7-/m0/s1
InChIKeyJZJOBXMVCNVMHS-ZETCQYMHSA-N
MW236.27 g/mol
LogP0.86
Rot. Bonds2

About (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione

(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione (PubChem CID 136866921) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione.

Molecular Properties

Compound Name(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione
PubChem CID136866921
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)[C@H](CC(C)C)N2
InChIInChI=1S/C11H16N4O2/c1-5(2)4-7-10(16)15-8-9(14-7)12-6(3)13-11(8)17/h5,7H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)/t7-/m0/s1
InChIKeyJZJOBXMVCNVMHS-ZETCQYMHSA-N
XLogP0.86
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione?
The IUPAC name of (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione (CID 136866921) is (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione.
What is the SMILES notation for (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione?
The canonical SMILES for (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione is Cc1nc2c(c(=O)[nH]1)NC(=O)[C@H](CC(C)C)N2.
What is the InChIKey of (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione?
The InChIKey is JZJOBXMVCNVMHS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-5(2)4-7-10(16)15-8-9(14-7)12-6(3)13-11(8)17/h5,7H,4H2,1-3H3,(H,15,16)(H2,12,13,14,17)/t7-/m0/s1.
What are the key properties of (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione?
(7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione has a molecular weight of 236.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-methyl-7-(2-methylpropyl)-3,5,7,8-tetrahydropteridine-4,6-dione is sourced from PubChem (CID 136866921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).