4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine

C19H19N5S — CID 177381336

IUPAC4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESc1ccc2c(-c3nc(N[C@H]4CCCNC4)nc4ccsc34)c[nH]c2c1
InChIInChI=1S/C19H19N5S/c1-2-6-15-13(5-1)14(11-21-15)17-18-16(7-9-25-18)23-19(24-17)22-12-4-3-8-20-10-12/h1-2,5-7,9,11-12,20-21H,3-4,8,10H2,(H,22,23,24)/t12-/m0/s1
InChIKeyUEQDUFKJHSOXJD-LBPRGKRZSA-N
MW349.46 g/mol
LogP4.00
Rot. Bonds3

About 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine

4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 177381336) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID177381336
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESc1ccc2c(-c3nc(N[C@H]4CCCNC4)nc4ccsc34)c[nH]c2c1
InChIInChI=1S/C19H19N5S/c1-2-6-15-13(5-1)14(11-21-15)17-18-16(7-9-25-18)23-19(24-17)22-12-4-3-8-20-10-12/h1-2,5-7,9,11-12,20-21H,3-4,8,10H2,(H,22,23,24)/t12-/m0/s1
InChIKeyUEQDUFKJHSOXJD-LBPRGKRZSA-N
XLogP4.00
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine (CID 177381336) is 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine is c1ccc2c(-c3nc(N[C@H]4CCCNC4)nc4ccsc34)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is UEQDUFKJHSOXJD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N5S/c1-2-6-15-13(5-1)14(11-21-15)17-18-16(7-9-25-18)23-19(24-17)22-12-4-3-8-20-10-12/h1-2,5-7,9,11-12,20-21H,3-4,8,10H2,(H,22,23,24)/t12-/m0/s1.
What are the key properties of 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine?
4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 349.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(3S)-piperidin-3-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 177381336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).