6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 129322903

IUPAC6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-4-2-3-5-8(7)12-9-6-10(15)14-11(16)13-9/h6-8H,2-5H2,1H3,(H3,12,13,14,15,16)/t7-,8-/m1/s1
InChIKeyBIBSEXVVUDLFFD-HTQZYQBOSA-N
MW223.28 g/mol
LogP1.05
Rot. Bonds2

About 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione

6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 129322903) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID129322903
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione
SMILESC[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-7-4-2-3-5-8(7)12-9-6-10(15)14-11(16)13-9/h6-8H,2-5H2,1H3,(H3,12,13,14,15,16)/t7-,8-/m1/s1
InChIKeyBIBSEXVVUDLFFD-HTQZYQBOSA-N
XLogP1.05
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione (CID 129322903) is 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione is C[C@@H]1CCCC[C@H]1Nc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is BIBSEXVVUDLFFD-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-4-2-3-5-8(7)12-9-6-10(15)14-11(16)13-9/h6-8H,2-5H2,1H3,(H3,12,13,14,15,16)/t7-,8-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione?
6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-methylcyclohexyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129322903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).