4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine

C26H26N4O2 — CID 52939968

IUPAC4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
SMILESCOc1ccc(Oc2nc(-c3ccc4ccccc4c3)ncc2NC[C@@H]2CCCN2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-22-10-12-23(13-11-22)32-26-24(28-16-21-7-4-14-27-21)17-29-25(30-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-3,5-6,8-13,15,17,21,27-28H,4,7,14,16H2,1H3/t21-/m0/s1
InChIKeyMAESGCBZMWLISQ-NRFANRHFSA-N
MW426.52 g/mol
LogP5.26
Rot. Bonds7

About 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine

4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine (PubChem CID 52939968) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
PubChem CID52939968
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
SMILESCOc1ccc(Oc2nc(-c3ccc4ccccc4c3)ncc2NC[C@@H]2CCCN2)cc1
InChIInChI=1S/C26H26N4O2/c1-31-22-10-12-23(13-11-22)32-26-24(28-16-21-7-4-14-27-21)17-29-25(30-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-3,5-6,8-13,15,17,21,27-28H,4,7,14,16H2,1H3/t21-/m0/s1
InChIKeyMAESGCBZMWLISQ-NRFANRHFSA-N
XLogP5.26
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 51353554
4-(4-aminophenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52938594
4-(2-methoxyphenoxy)-2-pyridin-3-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52938467
4-(4-aminophenoxy)-2-(5-fluoro-3-pyridinyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 58247390
2-[4-(diethylaminooxy)phenoxy]-4-(4-methoxyphenoxy)-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 58243063
5-[4-(2,3-difluoro-4-methoxyphenoxy)-5-[[(2S)-pyrrolidin-2-yl]methylamino]pyrimidin-2-yl]pyridine-3-carbonitrile
CID 52939583
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
4-[(2-methyl-1,3-benzoxazol-6-yl)oxy]-2-pyrimidin-4-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine
CID 52939335
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
5-[6-(4-methoxyphenoxy)-5-[[(2S)-pyrrolidin-2-yl]methylamino]pyrazin-2-yl]pyridine-3-carbonitrile
CID 52920361
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
CID 81304983
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine?
The IUPAC name of 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine (CID 52939968) is 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine is COc1ccc(Oc2nc(-c3ccc4ccccc4c3)ncc2NC[C@@H]2CCCN2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine?
The InChIKey is MAESGCBZMWLISQ-NRFANRHFSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-31-22-10-12-23(13-11-22)32-26-24(28-16-21-7-4-14-27-21)17-29-25(30-26)20-9-8-18-5-2-3-6-19(18)15-20/h2-3,5-6,8-13,15,17,21,27-28H,4,7,14,16H2,1H3/t21-/m0/s1.
What are the key properties of 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine?
4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine has a molecular weight of 426.52 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-naphthalen-2-yl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrimidin-5-amine is sourced from PubChem (CID 52939968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).