5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C14H18ClN3S — CID 83184144

IUPAC5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(Cc2cccs2)C(C)C)ncc1CCl
InChIInChI=1S/C14H18ClN3S/c1-10(2)18(9-13-5-4-6-19-13)14-16-8-12(7-15)11(3)17-14/h4-6,8,10H,7,9H2,1-3H3
InChIKeyUCSXHZZLAMUOIR-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.00
Rot. Bonds5

About 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 83184144) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID83184144
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(N(Cc2cccs2)C(C)C)ncc1CCl
InChIInChI=1S/C14H18ClN3S/c1-10(2)18(9-13-5-4-6-19-13)14-16-8-12(7-15)11(3)17-14/h4-6,8,10H,7,9H2,1-3H3
InChIKeyUCSXHZZLAMUOIR-UHFFFAOYSA-N
XLogP4.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.00
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-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,5-diamine
CID 54946553
4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105067372
5-(chloromethyl)-N-(2-methoxyethyl)-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 83183892
4-(chloromethyl)-N,2-di(propan-2-yl)-N-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 62087440
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
5-[(cyclopropylamino)methyl]-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 83185706
N'-hydroxy-2-[propan-2-yl(thiophen-2-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 136906558
6-chloro-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63728632
5-bromo-2-N-methyl-4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80809500
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
5-bromo-2-hydrazinyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80895899
2-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 62286889

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 83184144) is 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is Cc1nc(N(Cc2cccs2)C(C)C)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is UCSXHZZLAMUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10(2)18(9-13-5-4-6-19-13)14-16-8-12(7-15)11(3)17-14/h4-6,8,10H,7,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 83184144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).