N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine

C14H20ClN3S — CID 62187944

IUPACN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1nc(Cl)c2ccsc2n1)C(C)C
InChIInChI=1S/C14H20ClN3S/c1-9(2)7-18(10(3)4)8-12-16-13(15)11-5-6-19-14(11)17-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKDHJUEVUSBUFBO-UHFFFAOYSA-N
MW297.86 g/mol
LogP4.21
Rot. Bonds5

About N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62187944) has the molecular formula C14H20ClN3S and a molecular weight of 297.86 g/mol. Its IUPAC name is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62187944
Molecular FormulaC14H20ClN3S
Molecular Weight297.86 g/mol
Exact Mass297.11
IUPAC NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)CN(Cc1nc(Cl)c2ccsc2n1)C(C)C
InChIInChI=1S/C14H20ClN3S/c1-9(2)7-18(10(3)4)8-12-16-13(15)11-5-6-19-14(11)17-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyKDHJUEVUSBUFBO-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl-propan-2-ylamino]acetamide
CID 62187940
2-[[ethyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183072
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 63220335
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
CID 62188469
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112658823
2-(bromomethyl)-4-chlorothieno[2,3-d]pyrimidine
CID 119088627
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 62189221
2-[[2-methoxyethyl(propan-2-yl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82953478
N-ethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183378
4-chloro-2-[(2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62188989
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 55119649

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 62187944) is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)CN(Cc1nc(Cl)c2ccsc2n1)C(C)C.
What is the InChIKey of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is KDHJUEVUSBUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3S/c1-9(2)7-18(10(3)4)8-12-16-13(15)11-5-6-19-14(11)17-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 297.86 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).