N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine

C16H21N3O — CID 115975024

IUPACN-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-11-20-15-9-10-17-16(19-15)18-13(2)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,17,18,19)
InChIKeyHGTUFNAJWMRFLF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.31
Rot. Bonds7

About N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine

N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine (PubChem CID 115975024) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
PubChem CID115975024
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC(C)Cc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-3-11-20-15-9-10-17-16(19-15)18-13(2)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,17,18,19)
InChIKeyHGTUFNAJWMRFLF-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
4-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636105
N-(3-methylpentan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637141
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
4,6-dimethoxy-N-(1-phenylpropan-2-yl)pyrimidin-2-amine
CID 115355116
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
N-(1-chloro-4-methylpentan-3-yl)-4-propoxypyrimidin-2-amine
CID 106354270
3-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636245
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
2-[(4-propoxypyrimidin-2-yl)amino]-2-thiophen-2-ylacetic acid
CID 115974224
3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-(1-cyclopropylbutan-2-yl)-4-propoxypyrimidin-2-amine
CID 112637766

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine (CID 115975024) is N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC(C)Cc2ccccc2)n1.
What is the InChIKey of N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine?
The InChIKey is HGTUFNAJWMRFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-11-20-15-9-10-17-16(19-15)18-13(2)12-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3,(H,17,18,19).
What are the key properties of N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine?
N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropan-2-yl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 115975024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).