N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C19H26N6S — CID 97435855

IUPACN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nc(C)nc3sccc23)CC1)c1ncc(C)[nH]1
InChIInChI=1S/C19H26N6S/c1-4-16(17-20-11-12(2)21-17)24-14-5-8-25(9-6-14)18-15-7-10-26-19(15)23-13(3)22-18/h7,10-11,14,16,24H,4-6,8-9H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyYCORJKKFVZNWNU-INIZCTEOSA-N
MW370.53 g/mol
LogP3.74
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 97435855) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID97435855
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC NameN-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(c2nc(C)nc3sccc23)CC1)c1ncc(C)[nH]1
InChIInChI=1S/C19H26N6S/c1-4-16(17-20-11-12(2)21-17)24-14-5-8-25(9-6-14)18-15-7-10-26-19(15)23-13(3)22-18/h7,10-11,14,16,24H,4-6,8-9H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyYCORJKKFVZNWNU-INIZCTEOSA-N
XLogP3.74
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 97435855) is N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is CC[C@H](NC1CCN(c2nc(C)nc3sccc23)CC1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is YCORJKKFVZNWNU-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6S/c1-4-16(17-20-11-12(2)21-17)24-14-5-8-25(9-6-14)18-15-7-10-26-19(15)23-13(3)22-18/h7,10-11,14,16,24H,4-6,8-9H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 370.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1-(2-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 97435855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).