[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C15H22N4OS — CID 103329632

IUPAC[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCCNc1nc(N2CCC(CO)C2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4OS/c1-3-5-16-15-17-13(19-6-4-11(8-19)9-20)12-7-10(2)21-14(12)18-15/h7,11,20H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyCIZVHBOLKSTBKM-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.64
Rot. Bonds5

About [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 103329632) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID103329632
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCCCNc1nc(N2CCC(CO)C2)c2cc(C)sc2n1
InChIInChI=1S/C15H22N4OS/c1-3-5-16-15-17-13(19-6-4-11(8-19)9-20)12-7-10(2)21-14(12)18-15/h7,11,20H,3-6,8-9H2,1-2H3,(H,16,17,18)
InChIKeyCIZVHBOLKSTBKM-UHFFFAOYSA-N
XLogP2.64
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103326239
4-(2-ethylpyrrolidin-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103325400
6-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329876
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
[4-(3,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335803
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
4-(azepan-1-yl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103323872
4-N-cyclopropyl-4-N-ethyl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324544
[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 102759541
4-N-(cyclopropylmethyl)-4-N,6-dimethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325410
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 103333919
2-methyl-2-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324837

Frequently Asked Questions

What is the IUPAC name of [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 103329632) is [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CCCNc1nc(N2CCC(CO)C2)c2cc(C)sc2n1.
What is the InChIKey of [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is CIZVHBOLKSTBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-5-16-15-17-13(19-6-4-11(8-19)9-20)12-7-10(2)21-14(12)18-15/h7,11,20H,3-6,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 306.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103329632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).