N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine

C17H21N3O3 — CID 133459100

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine
SMILESCC1(CCNc2nccc(OCc3ccccc3)n2)OCCO1
InChIInChI=1S/C17H21N3O3/c1-17(22-11-12-23-17)8-10-19-16-18-9-7-15(20-16)21-13-14-5-3-2-4-6-14/h2-7,9H,8,10-13H2,1H3,(H,18,19,20)
InChIKeyBGUQKKZYVQMWHX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine (PubChem CID 133459100) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine
PubChem CID133459100
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine
SMILESCC1(CCNc2nccc(OCc3ccccc3)n2)OCCO1
InChIInChI=1S/C17H21N3O3/c1-17(22-11-12-23-17)8-10-19-16-18-9-7-15(20-16)21-13-14-5-3-2-4-6-14/h2-7,9H,8,10-13H2,1H3,(H,18,19,20)
InChIKeyBGUQKKZYVQMWHX-UHFFFAOYSA-N
XLogP2.62
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
US9205085, Msx-209
CID 24804043
2,4-Bis(benzyloxy)pyrimidine
CID 10447380
2-N-[(2-ethoxyphenyl)methyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 44528416
2,4-Bis(4-methylphenoxy)pyrimidine
CID 3008437
6-(Benzyloxy)pyrimidin-4-amine
CID 309338
N-(2-methoxybenzyl)pyrimidin-2-amine
CID 3936385
4-(Benzyloxy)-2-chloropyrimidine
CID 15133237
N-benzyl-4-(benzyloxy)-5-bromopyrimidin-2-amine
CID 42553027
4-(Benzyloxy)-2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 44755193
6-[(4-fluorophenyl)methoxy]-N-propan-2-ylpyrimidin-4-amine
CID 172436906

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine (CID 133459100) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine is CC1(CCNc2nccc(OCc3ccccc3)n2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine?
The InChIKey is BGUQKKZYVQMWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(22-11-12-23-17)8-10-19-16-18-9-7-15(20-16)21-13-14-5-3-2-4-6-14/h2-7,9H,8,10-13H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine has a molecular weight of 315.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 133459100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).