(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine

C19H22N4O — CID 136717973

IUPAC(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine
SMILESCc1cc2n(n1)C[C@@H](CN[C@H](c1ccccc1)c1ccco1)CN2
InChIInChI=1S/C19H22N4O/c1-14-10-18-20-11-15(13-23(18)22-14)12-21-19(17-8-5-9-24-17)16-6-3-2-4-7-16/h2-10,15,19-21H,11-13H2,1H3/t15-,19-/m1/s1
InChIKeyPNFSYFXDZPHHJL-DNVCBOLYSA-N
MW322.41 g/mol
LogP3.21
Rot. Bonds5

About (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine

(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine (PubChem CID 136717973) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine
PubChem CID136717973
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine
SMILESCc1cc2n(n1)C[C@@H](CN[C@H](c1ccccc1)c1ccco1)CN2
InChIInChI=1S/C19H22N4O/c1-14-10-18-20-11-15(13-23(18)22-14)12-21-19(17-8-5-9-24-17)16-6-3-2-4-7-16/h2-10,15,19-21H,11-13H2,1H3/t15-,19-/m1/s1
InChIKeyPNFSYFXDZPHHJL-DNVCBOLYSA-N
XLogP3.21
TPSA55.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine (CID 136717973) is (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine is Cc1cc2n(n1)C[C@@H](CN[C@H](c1ccccc1)c1ccco1)CN2.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine?
The InChIKey is PNFSYFXDZPHHJL-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-10-18-20-11-15(13-23(18)22-14)12-21-19(17-8-5-9-24-17)16-6-3-2-4-7-16/h2-10,15,19-21H,11-13H2,1H3/t15-,19-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine?
(1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine has a molecular weight of 322.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 136717973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).