[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

C15H22N4OS — CID 103328658

IUPAC[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCCc1cc2c(NCC3CCCC3CO)nc(N)nc2s1
InChIInChI=1S/C15H22N4OS/c1-2-11-6-12-13(18-15(16)19-14(12)21-11)17-7-9-4-3-5-10(9)8-20/h6,9-10,20H,2-5,7-8H2,1H3,(H3,16,17,18,19)
InChIKeyOTCDVQZDXMFLHH-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.66
Rot. Bonds5

About [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol

[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 103328658) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
PubChem CID103328658
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
SMILESCCc1cc2c(NCC3CCCC3CO)nc(N)nc2s1
InChIInChI=1S/C15H22N4OS/c1-2-11-6-12-13(18-15(16)19-14(12)21-11)17-7-9-4-3-5-10(9)8-20/h6,9-10,20H,2-5,7-8H2,1H3,(H3,16,17,18,19)
InChIKeyOTCDVQZDXMFLHH-UHFFFAOYSA-N
XLogP2.66
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol (CID 103328658) is [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is CCc1cc2c(NCC3CCCC3CO)nc(N)nc2s1.
What is the InChIKey of [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is OTCDVQZDXMFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-11-6-12-13(18-15(16)19-14(12)21-11)17-7-9-4-3-5-10(9)8-20/h6,9-10,20H,2-5,7-8H2,1H3,(H3,16,17,18,19).
What are the key properties of [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol?
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 306.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103328658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).