N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine

C14H20N4OS — CID 122564440

IUPACN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1C[C@H](Nc2ncnc3sc(C)cc23)[C@@H](OC)C1
InChIInChI=1S/C14H20N4OS/c1-4-18-6-11(12(7-18)19-3)17-13-10-5-9(2)20-14(10)16-8-15-13/h5,8,11-12H,4,6-7H2,1-3H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyIPXOBUJGRBSQBL-RYUDHWBXSA-N
MW292.41 g/mol
LogP2.13
Rot. Bonds4

About N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine

N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 122564440) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID122564440
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCN1C[C@H](Nc2ncnc3sc(C)cc23)[C@@H](OC)C1
InChIInChI=1S/C14H20N4OS/c1-4-18-6-11(12(7-18)19-3)17-13-10-5-9(2)20-14(10)16-8-15-13/h5,8,11-12H,4,6-7H2,1-3H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyIPXOBUJGRBSQBL-RYUDHWBXSA-N
XLogP2.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 122564440) is N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine is CCN1C[C@H](Nc2ncnc3sc(C)cc23)[C@@H](OC)C1.
What is the InChIKey of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IPXOBUJGRBSQBL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-4-18-6-11(12(7-18)19-3)17-13-10-5-9(2)20-14(10)16-8-15-13/h5,8,11-12H,4,6-7H2,1-3H3,(H,15,16,17)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 122564440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).