N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine

C16H18N4S — CID 102686089

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N(C)Cc3ccc(CN)cc3)ncnc12
InChIInChI=1S/C16H18N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20(2)8-13-5-3-12(7-17)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyNFARRQYNSIALKM-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine

N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686089) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686089
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(N(C)Cc3ccc(CN)cc3)ncnc12
InChIInChI=1S/C16H18N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20(2)8-13-5-3-12(7-17)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyNFARRQYNSIALKM-UHFFFAOYSA-N
XLogP3.09
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,7-dimethyl-N-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 171328912
1-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazine
CID 146460535
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
1-methoxy-3-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propan-2-ol
CID 102687017
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687355
4-[[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 102687057
[3-fluoro-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 107667192
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthieno[3,2-c]pyridin-4-amine
CID 60923008
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)ethanamine
CID 102687222
N-[[4-(aminomethyl)phenyl]methyl]-N,3,6-trimethylpyrazin-2-amine
CID 54939164
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65270237
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)oxymethyl]aniline
CID 102686745

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine (CID 102686089) is N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(N(C)Cc3ccc(CN)cc3)ncnc12.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NFARRQYNSIALKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-11-9-21-15-14(11)18-10-19-16(15)20(2)8-13-5-3-12(7-17)4-6-13/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N,7-dimethylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).