N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H18ClN3S — CID 114179340

IUPACN-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCCCC3CCl)ncnc2s1
InChIInChI=1S/C14H18ClN3S/c1-9-6-11-13(16-8-17-14(11)19-9)18-12-5-3-2-4-10(12)7-15/h6,8,10,12H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyRXBVZHIZUIBWLS-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.21
Rot. Bonds3

About N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 114179340) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID114179340
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC3CCCCC3CCl)ncnc2s1
InChIInChI=1S/C14H18ClN3S/c1-9-6-11-13(16-8-17-14(11)19-9)18-12-5-3-2-4-10(12)7-15/h6,8,10,12H,2-5,7H2,1H3,(H,16,17,18)
InChIKeyRXBVZHIZUIBWLS-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 114179340) is N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC3CCCCC3CCl)ncnc2s1.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RXBVZHIZUIBWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9-6-11-13(16-8-17-14(11)19-9)18-12-5-3-2-4-10(12)7-15/h6,8,10,12H,2-5,7H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.84 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114179340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).