4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde

C12H19N5O2 — CID 112856656

IUPAC4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCOCCNc1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C12H19N5O2/c1-19-7-2-13-11-8-12(15-9-14-11)17-5-3-16(10-18)4-6-17/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyQMGMQAZGQZBQRQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.19
Rot. Bonds6

About 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde

4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (PubChem CID 112856656) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
PubChem CID112856656
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
SMILESCOCCNc1cc(N2CCN(C=O)CC2)ncn1
InChIInChI=1S/C12H19N5O2/c1-19-7-2-13-11-8-12(15-9-14-11)17-5-3-16(10-18)4-6-17/h8-10H,2-7H2,1H3,(H,13,14,15)
InChIKeyQMGMQAZGQZBQRQ-UHFFFAOYSA-N
XLogP-0.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112856705
4-[6-(prop-2-enylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112854888
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856701
N-(3-methoxypropyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112856870
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
4-[6-[2-(2,4-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858266
4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858278
4-[6-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858233
4-[6-(cyclopentylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112855829

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde (CID 112856656) is 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is COCCNc1cc(N2CCN(C=O)CC2)ncn1.
What is the InChIKey of 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
The InChIKey is QMGMQAZGQZBQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-7-2-13-11-8-12(15-9-14-11)17-5-3-16(10-18)4-6-17/h8-10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde?
4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde has a molecular weight of 265.32 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-methoxyethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 112856656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).