2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine

C19H30ClN3S — CID 18326380

IUPAC2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCCNc1nc(Cl)nc2c(C)csc12
InChIInChI=1S/C19H30ClN3S/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-17-16(15(2)14-24-17)22-19(20)23-18/h14H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyQLHRNOUROOBFIT-UHFFFAOYSA-N
MW367.99 g/mol
LogP6.99
Rot. Bonds12

About 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine

2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18326380) has the molecular formula C19H30ClN3S and a molecular weight of 367.99 g/mol. Its IUPAC name is 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18326380
Molecular FormulaC19H30ClN3S
Molecular Weight367.99 g/mol
Exact Mass367.18
IUPAC Name2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCCNc1nc(Cl)nc2c(C)csc12
InChIInChI=1S/C19H30ClN3S/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-17-16(15(2)14-24-17)22-19(20)23-18/h14H,3-13H2,1-2H3,(H,21,22,23)
InChIKeyQLHRNOUROOBFIT-UHFFFAOYSA-N
XLogP6.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.99
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
CID 129143474
2-chloro-N-octylpteridin-4-amine
CID 82459563
1-[7-methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-yl]-3-nonylurea;hydrochloride
CID 18326570
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 106842572
7-bromo-N-butyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-amine
CID 147242835
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
4-bromo-N-octyl-1,3-thiazol-2-amine
CID 115568968
2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
CID 144717395
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 18326380) is 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine is CCCCCCCCCCCCNc1nc(Cl)nc2c(C)csc12.
What is the InChIKey of 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QLHRNOUROOBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3S/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-17-16(15(2)14-24-17)22-19(20)23-18/h14H,3-13H2,1-2H3,(H,21,22,23).
What are the key properties of 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 367.99 g/mol, XLogP of 6.99, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-dodecyl-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18326380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).