5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione

C10H16N4O2 — CID 170943340

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione
SMILESN[C@H]1CCCC[C@H]1Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-6-3-1-2-4-7(6)13-8-5-12-10(16)14-9(8)15/h5-7,13H,1-4,11H2,(H2,12,14,15,16)/t6-,7+/m0/s1
InChIKeyABEOCUKDZVHLDZ-NKWVEPMBSA-N
MW224.26 g/mol
LogP-0.25
Rot. Bonds2

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione

5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione (PubChem CID 170943340) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione
PubChem CID170943340
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione
SMILESN[C@H]1CCCC[C@H]1Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-6-3-1-2-4-7(6)13-8-5-12-10(16)14-9(8)15/h5-7,13H,1-4,11H2,(H2,12,14,15,16)/t6-,7+/m0/s1
InChIKeyABEOCUKDZVHLDZ-NKWVEPMBSA-N
XLogP-0.25
TPSA103.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione (CID 170943340) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione is N[C@H]1CCCC[C@H]1Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione?
The InChIKey is ABEOCUKDZVHLDZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-6-3-1-2-4-7(6)13-8-5-12-10(16)14-9(8)15/h5-7,13H,1-4,11H2,(H2,12,14,15,16)/t6-,7+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.25, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170943340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).