N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C11H15N3OS — CID 62735152

IUPACN-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-8(3-5-15-2)14-10-9-4-6-16-11(9)13-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyWOHLEUOGDHLBNL-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62735152) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62735152
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C11H15N3OS/c1-8(3-5-15-2)14-10-9-4-6-16-11(9)13-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,12,13,14)
InChIKeyWOHLEUOGDHLBNL-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
3-methoxy-2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 106182134
N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67604920
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 60966377
N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67605109
N-[1-(furan-2-yl)-2-methoxyethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133336576
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
5-bromo-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 66342606
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 62735152) is N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is COCCC(C)Nc1ncnc2sccc12.
What is the InChIKey of N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WOHLEUOGDHLBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(3-5-15-2)14-10-9-4-6-16-11(9)13-7-12-10/h4,6-8H,3,5H2,1-2H3,(H,12,13,14).
What are the key properties of N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62735152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).