N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

C19H29N5OS — CID 72888655

IUPACN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1NC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C19H29N5OS/c1-4-25-16-10-23(3)9-15(16)22-14-5-7-24(8-6-14)19-18-17(20-12-21-19)13(2)11-26-18/h11-12,14-16,22H,4-10H2,1-3H3/t15-,16-/m0/s1
InChIKeyFLUSYGWAHKRFQP-HOTGVXAUSA-N
MW375.54 g/mol
LogP2.28
Rot. Bonds5

About N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine

N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 72888655) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID72888655
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC NameN-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCCO[C@H]1CN(C)C[C@@H]1NC1CCN(c2ncnc3c(C)csc23)CC1
InChIInChI=1S/C19H29N5OS/c1-4-25-16-10-23(3)9-15(16)22-14-5-7-24(8-6-14)19-18-17(20-12-21-19)13(2)11-26-18/h11-12,14-16,22H,4-10H2,1-3H3/t15-,16-/m0/s1
InChIKeyFLUSYGWAHKRFQP-HOTGVXAUSA-N
XLogP2.28
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 102687385
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine
CID 72931211
7-methyl-N-(1-propylpiperidin-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686395
ethyl 1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 102687115
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
N-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]benzamide
CID 172898892
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 156539132

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine (CID 72888655) is N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is CCO[C@H]1CN(C)C[C@@H]1NC1CCN(c2ncnc3c(C)csc23)CC1.
What is the InChIKey of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is FLUSYGWAHKRFQP-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-4-25-16-10-23(3)9-15(16)22-14-5-7-24(8-6-14)19-18-17(20-12-21-19)13(2)11-26-18/h11-12,14-16,22H,4-10H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine?
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 375.54 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72888655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).