(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol

C16H21N3O — CID 96519445

IUPAC(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1cnc(CN(C)[C@H](CCO)c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-13-10-18-15(11-17-13)12-19(2)16(8-9-20)14-6-4-3-5-7-14/h3-7,10-11,16,20H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyFRRANSHANOFTTF-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.34
Rot. Bonds6

About (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol

(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol (PubChem CID 96519445) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
PubChem CID96519445
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
SMILESCc1cnc(CN(C)[C@H](CCO)c2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-13-10-18-15(11-17-13)12-19(2)16(8-9-20)14-6-4-3-5-7-14/h3-7,10-11,16,20H,8-9,12H2,1-2H3/t16-/m1/s1
InChIKeyFRRANSHANOFTTF-MRXNPFEDSA-N
XLogP2.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 96519444
3-[[4-(hydroxymethyl)phenyl]methyl-methylamino]-3-phenylpropan-1-ol
CID 110009129
(3S)-3-[methyl-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97256570
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489104
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489135
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
(3R)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-3-phenylpropan-1-ol
CID 97237931
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111496963
3-[methyl-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489158
3-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]-3-phenylpropan-1-ol
CID 111489168

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol (CID 96519445) is (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol is Cc1cnc(CN(C)[C@H](CCO)c2ccccc2)cn1.
What is the InChIKey of (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol?
The InChIKey is FRRANSHANOFTTF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-10-18-15(11-17-13)12-19(2)16(8-9-20)14-6-4-3-5-7-14/h3-7,10-11,16,20H,8-9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol?
(3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl-[(5-methylpyrazin-2-yl)methyl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 96519445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).