N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H18ClN3S — CID 65029549

IUPACN-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(CCl)CC(C)C)ncnc2s1
InChIInChI=1S/C13H18ClN3S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyMSFCUJMURLBNMB-UHFFFAOYSA-N
MW283.83 g/mol
LogP4.07
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 65029549) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID65029549
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NC(CCl)CC(C)C)ncnc2s1
InChIInChI=1S/C13H18ClN3S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17)
InChIKeyMSFCUJMURLBNMB-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 54.07
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-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 65029549) is N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC(CCl)CC(C)C)ncnc2s1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MSFCUJMURLBNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-8(2)4-10(6-14)17-12-11-5-9(3)18-13(11)16-7-15-12/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 65029549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).