1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine

C19H27N5 — CID 136718045

IUPAC1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
SMILESCc1cc2n(n1)C[C@@H](CNC[C@H]1CCN(C)c3ccccc31)CN2
InChIInChI=1S/C19H27N5/c1-14-9-19-21-11-15(13-24(19)22-14)10-20-12-16-7-8-23(2)18-6-4-3-5-17(16)18/h3-6,9,15-16,20-21H,7-8,10-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyANAMGTNIAVUGLT-JKSUJKDBSA-N
MW325.46 g/mol
LogP2.45
Rot. Bonds4

About 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine

1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine (PubChem CID 136718045) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
PubChem CID136718045
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
SMILESCc1cc2n(n1)C[C@@H](CNC[C@H]1CCN(C)c3ccccc31)CN2
InChIInChI=1S/C19H27N5/c1-14-9-19-21-11-15(13-24(19)22-14)10-20-12-16-7-8-23(2)18-6-4-3-5-17(16)18/h3-6,9,15-16,20-21H,7-8,10-13H2,1-2H3/t15-,16+/m0/s1
InChIKeyANAMGTNIAVUGLT-JKSUJKDBSA-N
XLogP2.45
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The IUPAC name of 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine (CID 136718045) is 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The canonical SMILES for 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine is Cc1cc2n(n1)C[C@@H](CNC[C@H]1CCN(C)c3ccccc31)CN2.
What is the InChIKey of 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
The InChIKey is ANAMGTNIAVUGLT-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N5/c1-14-9-19-21-11-15(13-24(19)22-14)10-20-12-16-7-8-23(2)18-6-4-3-5-17(16)18/h3-6,9,15-16,20-21H,7-8,10-13H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine?
1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine has a molecular weight of 325.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine is sourced from PubChem (CID 136718045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).