4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine

C15H25ClN4 — CID 63635722

IUPAC4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
SMILESCCN1CCN(c2cnc(C(C)C)nc2CCl)CC1C
InChIInChI=1S/C15H25ClN4/c1-5-19-6-7-20(10-12(19)4)14-9-17-15(11(2)3)18-13(14)8-16/h9,11-12H,5-8,10H2,1-4H3
InChIKeyKUYHFRBLCHJLMK-UHFFFAOYSA-N
MW296.85 g/mol
LogP2.87
Rot. Bonds4

About 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine

4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine (PubChem CID 63635722) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
PubChem CID63635722
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine
SMILESCCN1CCN(c2cnc(C(C)C)nc2CCl)CC1C
InChIInChI=1S/C15H25ClN4/c1-5-19-6-7-20(10-12(19)4)14-9-17-15(11(2)3)18-13(14)8-16/h9,11-12H,5-8,10H2,1-4H3
InChIKeyKUYHFRBLCHJLMK-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-Chloropropyl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 141181343
4-(chloromethyl)-N,2-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 62086377
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 62088161
4-(chloromethyl)-N-ethyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 62088881
4-(chloromethyl)-N-cyclopropyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 62089059
4-(chloromethyl)-2-propan-2-yl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 62089060
4-(chloromethyl)-N-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-5-amine
CID 65536189
4-(Chloromethyl)-2-propan-2-yl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65536773
4-(Chloromethyl)-2-propan-2-yl-5-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65537740
5-(Chloromethyl)-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 83183968
5-(Chloromethyl)-4-(difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidine
CID 114205523
4-(Difluoromethyl)-2-(1,4-dimethylpiperazin-2-yl)pyrimidin-5-amine
CID 114207272

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine (CID 63635722) is 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine is CCN1CCN(c2cnc(C(C)C)nc2CCl)CC1C.
What is the InChIKey of 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine?
The InChIKey is KUYHFRBLCHJLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-5-19-6-7-20(10-12(19)4)14-9-17-15(11(2)3)18-13(14)8-16/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine?
4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine has a molecular weight of 296.85 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 63635722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).