N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

C16H15N3OS — CID 102686441

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CCOc4ccccc43)ncnc12
InChIInChI=1S/C16H15N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-12-6-7-20-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,17,18,19)
InChIKeyKJKXRBHIYIZQKF-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.94
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine

N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686441) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686441
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1csc2c(NC3CCOc4ccccc43)ncnc12
InChIInChI=1S/C16H15N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-12-6-7-20-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,17,18,19)
InChIKeyKJKXRBHIYIZQKF-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 99844064
N-cyclopent-3-en-1-yl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686679
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
CID 63728697
4-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 102686178
2-(3,4-dihydro-2H-chromen-4-ylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 60724407
N-(2,2-dimethylcyclopropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686423
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)cycloheptane-1,2-diamine
CID 102686849
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylpyridin-3-amine
CID 79042451
N-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-2-amine
CID 62961004
2-[[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]methyl]phenol
CID 102686720

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine (CID 102686441) is N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is Cc1csc2c(NC3CCOc4ccccc43)ncnc12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is KJKXRBHIYIZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-8-21-15-14(10)17-9-18-16(15)19-12-6-7-20-13-5-3-2-4-11(12)13/h2-5,8-9,12H,6-7H2,1H3,(H,17,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.38 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).