4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine

C16H19N3O2 — CID 124595523

IUPAC4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyBGIUNZIIMMATQA-KGLIPLIRSA-N
MW285.35 g/mol
LogP2.82
Rot. Bonds4

About 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine

4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine (PubChem CID 124595523) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
PubChem CID124595523
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine
SMILESCOc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyBGIUNZIIMMATQA-KGLIPLIRSA-N
XLogP2.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(4-fluorophenoxy)ethyl]-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 44393134
5-fluoro-4-((R)-1-(3-fluorophenyl)propan-2-yloxy)-2-((R)-2-methylpiperazin-1-yl)pyrimidine
CID 44573547
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
2-N-[2-(4-fluorophenoxy)ethyl]-4-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 44393169
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,4-Pyrimidinediamine, 5-[[4-(1-methylethoxy)phenyl]methyl]-
CID 826184
4-methoxy-N-(4-methyl-3-(3-methylbut-2-enyloxy)phenyl)pyrimidin-2-amine
CID 15956126
((+/-)-1-Phenethyl 4-[(2-pyrimidinylamino)methyl]-1-piperidinecarboxylate
CID 16109389
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393161
(4S)-4-[2-[4-[(4-methoxypyrimidin-2-yl)amino]phenyl]ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 56967657
5-(4-Ethoxybenzyl)pyrimidine-2,4-diamine
CID 789778
N-[2-(4-methoxyphenyl)ethyl]-4-pyrimidinamine hydrochloride
CID 2965286

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine (CID 124595523) is 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine is COc1ccnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)n1.
What is the InChIKey of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
The InChIKey is BGIUNZIIMMATQA-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-20-15-7-9-17-16(19-15)18-13-8-10-21-14(11-13)12-5-3-2-4-6-12/h2-7,9,13-14H,8,10-11H2,1H3,(H,17,18,19)/t13-,14+/m1/s1.
What are the key properties of 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine?
4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S,4R)-2-phenyloxan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 124595523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).