4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine

C10H18N4 — CID 175849285

IUPAC4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine
SMILES[2H]C1(N2C[C@@H](C)NC[C@H]2C)C=CNC=N1
InChIInChI=1S/C10H18N4/c1-8-6-14(9(2)5-12-8)10-3-4-11-7-13-10/h3-4,7-10,12H,5-6H2,1-2H3,(H,11,13)/t8-,9-,10?/m1/s1/i10D
InChIKeyPKFLISNQBAXGGD-JVAPGIPWSA-N
MW195.29 g/mol
LogP0.14
Rot. Bonds1

About 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine

4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine (PubChem CID 175849285) has the molecular formula C10H18N4 and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine.

Molecular Properties

Compound Name4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine
PubChem CID175849285
Molecular FormulaC10H18N4
Molecular Weight195.29 g/mol
Exact Mass195.16
IUPAC Name4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine
SMILES[2H]C1(N2C[C@@H](C)NC[C@H]2C)C=CNC=N1
InChIInChI=1S/C10H18N4/c1-8-6-14(9(2)5-12-8)10-3-4-11-7-13-10/h3-4,7-10,12H,5-6H2,1-2H3,(H,11,13)/t8-,9-,10?/m1/s1/i10D
InChIKeyPKFLISNQBAXGGD-JVAPGIPWSA-N
XLogP0.14
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine?
The IUPAC name of 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine (CID 175849285) is 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine.
What is the SMILES notation for 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine?
The canonical SMILES for 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine is [2H]C1(N2C[C@@H](C)NC[C@H]2C)C=CNC=N1.
What is the InChIKey of 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine?
The InChIKey is PKFLISNQBAXGGD-JVAPGIPWSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-6-14(9(2)5-12-8)10-3-4-11-7-13-10/h3-4,7-10,12H,5-6H2,1-2H3,(H,11,13)/t8-,9-,10?/m1/s1/i10D.
What are the key properties of 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine?
4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine has a molecular weight of 195.29 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-4-[(2R,5R)-2,5-dimethylpiperazin-1-yl]-1H-pyrimidine is sourced from PubChem (CID 175849285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).