3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol

C16H21N3O — CID 133445857

IUPAC3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol
SMILESCc1ccnc(N(Cc2ccccc2)C(C)CCO)n1
InChIInChI=1S/C16H21N3O/c1-13-8-10-17-16(18-13)19(14(2)9-11-20)12-15-6-4-3-5-7-15/h3-8,10,14,20H,9,11-12H2,1-2H3
InChIKeyAXUYTDOQDSUGRH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds6

About 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol

3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol (PubChem CID 133445857) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol
PubChem CID133445857
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol
SMILESCc1ccnc(N(Cc2ccccc2)C(C)CCO)n1
InChIInChI=1S/C16H21N3O/c1-13-8-10-17-16(18-13)19(14(2)9-11-20)12-15-6-4-3-5-7-15/h3-8,10,14,20H,9,11-12H2,1-2H3
InChIKeyAXUYTDOQDSUGRH-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
3-[benzyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-ol
CID 133445874
3-[benzyl(ethyl)amino]butan-1-ol
CID 134382987
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
2-[benzyl(propan-2-yl)amino]-N-propylpyrimidine-4-carboxamide
CID 109294999
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
2-N-benzyl-4-N-butyl-4-N-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900078
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
2-N-benzyl-4-N-(2-phenylethyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112893961
2-[benzyl(propan-2-yl)amino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296184
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
3-[benzyl(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]butan-1-ol
CID 133445867

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol (CID 133445857) is 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol is Cc1ccnc(N(Cc2ccccc2)C(C)CCO)n1.
What is the InChIKey of 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is AXUYTDOQDSUGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-8-10-17-16(18-13)19(14(2)9-11-20)12-15-6-4-3-5-7-15/h3-8,10,14,20H,9,11-12H2,1-2H3.
What are the key properties of 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol?
3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(4-methylpyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133445857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).