N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

C16H22N4OS — CID 94811571

IUPACN-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c2ccsc2n1
InChIInChI=1S/C16H22N4OS/c1-2-6-20(5-1)14(12-3-7-21-10-12)9-17-15-13-4-8-22-16(13)19-11-18-15/h4,8,11-12,14H,1-3,5-7,9-10H2,(H,17,18,19)/t12-,14-/m1/s1
InChIKeyRFUPYXBTWDVEJX-TZMCWYRMSA-N
MW318.45 g/mol
LogP2.60
Rot. Bonds5

About N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine

N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 94811571) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID94811571
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c2ccsc2n1
InChIInChI=1S/C16H22N4OS/c1-2-6-20(5-1)14(12-3-7-21-10-12)9-17-15-13-4-8-22-16(13)19-11-18-15/h4,8,11-12,14H,1-3,5-7,9-10H2,(H,17,18,19)/t12-,14-/m1/s1
InChIKeyRFUPYXBTWDVEJX-TZMCWYRMSA-N
XLogP2.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 113222136
1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 31658205
5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 42941769
N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]thieno[2,3-d]pyrimidin-4-amine
CID 51891886
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 4798081
5-nitro-N-[(2S)-2-[(3R)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]pyridin-2-amine
CID 94178641
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-[2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 71684939
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 52677951
2-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 31657857
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 78986261

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine (CID 94811571) is N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is c1nc(NC[C@H]([C@@H]2CCOC2)N2CCCC2)c2ccsc2n1.
What is the InChIKey of N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RFUPYXBTWDVEJX-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-6-20(5-1)14(12-3-7-21-10-12)9-17-15-13-4-8-22-16(13)19-11-18-15/h4,8,11-12,14H,1-3,5-7,9-10H2,(H,17,18,19)/t12-,14-/m1/s1.
What are the key properties of N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 318.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 94811571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).