N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C15H23N5S — CID 116652761

IUPACN-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCc1sc2nc(CN(C)C(CN)C3CC3)nc(N)c2c1C
InChIInChI=1S/C15H23N5S/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H2,17,18,19)
InChIKeyZXNYPAOXIPSNJU-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.06
Rot. Bonds5

About N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116652761) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116652761
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCc1sc2nc(CN(C)C(CN)C3CC3)nc(N)c2c1C
InChIInChI=1S/C15H23N5S/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H2,17,18,19)
InChIKeyZXNYPAOXIPSNJU-UHFFFAOYSA-N
XLogP2.06
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
2-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 116652710
6-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 116653008
2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107401404
1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652934
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66215279
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60703001
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
CID 62013399

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116652761) is N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is Cc1sc2nc(CN(C)C(CN)C3CC3)nc(N)c2c1C.
What is the InChIKey of N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is ZXNYPAOXIPSNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-8-9(2)21-15-13(8)14(17)18-12(19-15)7-20(3)11(6-16)10-4-5-10/h10-11H,4-7,16H2,1-3H3,(H2,17,18,19).
What are the key properties of N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 305.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).