2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine

C15H19N3O — CID 82300056

IUPAC2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(Cc2ncc(N)cn2)ccc1OC(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)19-14-5-4-12(6-11(14)3)7-15-17-8-13(16)9-18-15/h4-6,8-10H,7,16H2,1-3H3
InChIKeyVNNMXHIGJYNRDJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds4

About 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine

2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine (PubChem CID 82300056) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
PubChem CID82300056
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
SMILESCc1cc(Cc2ncc(N)cn2)ccc1OC(C)C
InChIInChI=1S/C15H19N3O/c1-10(2)19-14-5-4-12(6-11(14)3)7-15-17-8-13(16)9-18-15/h4-6,8-10H,7,16H2,1-3H3
InChIKeyVNNMXHIGJYNRDJ-UHFFFAOYSA-N
XLogP2.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117313154
2-amino-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
CID 905989
2-[(4-butan-2-ylphenyl)methyl]pyrimidin-5-amine
CID 82293129
2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124
2-[(2,5-dimethoxy-4-methylphenyl)methyl]pyrimidin-5-amine
CID 82301102
2-[(4-methoxy-2,5-dimethylphenyl)methyl]pyrimidin-5-amine
CID 82293774
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
2-(methylamino)-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]acetamide
CID 98784381
5-methyl-6-propan-2-yloxypyridin-3-amine
CID 62475577

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine?
The IUPAC name of 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine (CID 82300056) is 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine is Cc1cc(Cc2ncc(N)cn2)ccc1OC(C)C.
What is the InChIKey of 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine?
The InChIKey is VNNMXHIGJYNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)19-14-5-4-12(6-11(14)3)7-15-17-8-13(16)9-18-15/h4-6,8-10H,7,16H2,1-3H3.
What are the key properties of 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine?
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine is sourced from PubChem (CID 82300056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).