5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine

C9H16ClN3Si — CID 130993170

IUPAC5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
SMILESC[Si](C)(C)CCNc1ncncc1Cl
InChIInChI=1S/C9H16ClN3Si/c1-14(2,3)5-4-12-9-8(10)6-11-7-13-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyLKHUOFQHLDDXTK-UHFFFAOYSA-N
MW229.79 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine

5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine (PubChem CID 130993170) has the molecular formula C9H16ClN3Si and a molecular weight of 229.79 g/mol. Its IUPAC name is 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
PubChem CID130993170
Molecular FormulaC9H16ClN3Si
Molecular Weight229.79 g/mol
Exact Mass229.08
IUPAC Name5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine
SMILESC[Si](C)(C)CCNc1ncncc1Cl
InChIInChI=1S/C9H16ClN3Si/c1-14(2,3)5-4-12-9-8(10)6-11-7-13-9/h6-7H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyLKHUOFQHLDDXTK-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloropyrimidin-4-yl)-N-ethylpropane-1,3-diamine
CID 105369876
5-chloro-N-[2-(1-methylcyclopropyl)ethyl]pyrimidin-4-amine
CID 130890848
5-chloro-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 105369555
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
CID 106155271
5-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidin-4-amine
CID 105369215
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-[2-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 105369517
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
5-chloro-N-(2,3-dimethoxypropyl)pyrimidin-4-amine
CID 102975966
5-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 105369246
5-chloro-N-(2-prop-2-ynylsulfanylethyl)pyrimidin-4-amine
CID 102975894
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 102975903

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine (CID 130993170) is 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine is C[Si](C)(C)CCNc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine?
The InChIKey is LKHUOFQHLDDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3Si/c1-14(2,3)5-4-12-9-8(10)6-11-7-13-9/h6-7H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine?
5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine has a molecular weight of 229.79 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-trimethylsilylethyl)pyrimidin-4-amine is sourced from PubChem (CID 130993170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).