(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

C6H10N2O2 — CID 45107271

IUPAC(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@H](C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1
InChIKeyWQXNXVUDBPYKBA-RXMQYKEDSA-N
MW142.16 g/mol
LogP-0.15
Rot. Bonds1

About (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (PubChem CID 45107271) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
PubChem CID45107271
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCC[C@H](C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1
InChIKeyWQXNXVUDBPYKBA-RXMQYKEDSA-N
XLogP-0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The IUPAC name of (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CID 45107271) is (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
What is the SMILES notation for (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The canonical SMILES for (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is CC1=NCC[C@H](C(=O)O)N1.
What is the InChIKey of (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The InChIKey is WQXNXVUDBPYKBA-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1.
What are the key properties of (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
(6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is sourced from PubChem (CID 45107271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).