2-pyrimidin-2-ylpiperazine-1-carbaldehyde

C9H12N4O — CID 91615217

IUPAC2-pyrimidin-2-ylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1c1ncccn1
InChIInChI=1S/C9H12N4O/c14-7-13-5-4-10-6-8(13)9-11-2-1-3-12-9/h1-3,7-8,10H,4-6H2
InChIKeyNWOXQIKUNSAQFX-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.42
Rot. Bonds2

About 2-pyrimidin-2-ylpiperazine-1-carbaldehyde

2-pyrimidin-2-ylpiperazine-1-carbaldehyde (PubChem CID 91615217) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-pyrimidin-2-ylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-pyrimidin-2-ylpiperazine-1-carbaldehyde
PubChem CID91615217
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-pyrimidin-2-ylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1c1ncccn1
InChIInChI=1S/C9H12N4O/c14-7-13-5-4-10-6-8(13)9-11-2-1-3-12-9/h1-3,7-8,10H,4-6H2
InChIKeyNWOXQIKUNSAQFX-UHFFFAOYSA-N
XLogP-0.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
N-(propan-2-yl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CID 2375700
(2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227381
4-(2-Pyrimidinyl)-1-piperazinebutanamine
CID 12840705

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylpiperazine-1-carbaldehyde?
The IUPAC name of 2-pyrimidin-2-ylpiperazine-1-carbaldehyde (CID 91615217) is 2-pyrimidin-2-ylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-pyrimidin-2-ylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-pyrimidin-2-ylpiperazine-1-carbaldehyde is O=CN1CCNCC1c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylpiperazine-1-carbaldehyde?
The InChIKey is NWOXQIKUNSAQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c14-7-13-5-4-10-6-8(13)9-11-2-1-3-12-9/h1-3,7-8,10H,4-6H2.
What are the key properties of 2-pyrimidin-2-ylpiperazine-1-carbaldehyde?
2-pyrimidin-2-ylpiperazine-1-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylpiperazine-1-carbaldehyde is sourced from PubChem (CID 91615217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).