N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine

C14H17N3O2 — CID 97143453

IUPACN-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine
SMILESCOc1ccccc1OC[C@H](C)Nc1ccncn1
InChIInChI=1S/C14H17N3O2/c1-11(17-14-7-8-15-10-16-14)9-19-13-6-4-3-5-12(13)18-2/h3-8,10-11H,9H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyMXEZKXIJCCOZSW-NSHDSACASA-N
MW259.31 g/mol
LogP2.36
Rot. Bonds6

About N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine

N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine (PubChem CID 97143453) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine
PubChem CID97143453
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine
SMILESCOc1ccccc1OC[C@H](C)Nc1ccncn1
InChIInChI=1S/C14H17N3O2/c1-11(17-14-7-8-15-10-16-14)9-19-13-6-4-3-5-12(13)18-2/h3-8,10-11H,9H2,1-2H3,(H,15,16,17)/t11-/m0/s1
InChIKeyMXEZKXIJCCOZSW-NSHDSACASA-N
XLogP2.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenoxy)propan-2-yl]methanesulfonamide
CID 56921687
N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]propanamide
CID 95397556
2-methoxy-N-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]acetamide
CID 100529408
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
(2S)-1-(2-methoxyphenoxy)-3-methylbutan-2-amine
CID 39110010
1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea
CID 19703760
1-(3,4-dimethoxyphenyl)-3-[(2R)-1-(2-methoxyphenoxy)propan-2-yl]thiourea
CID 100751257
N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-4-amine
CID 94220826

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine?
The IUPAC name of N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine (CID 97143453) is N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine is COc1ccccc1OC[C@H](C)Nc1ccncn1.
What is the InChIKey of N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine?
The InChIKey is MXEZKXIJCCOZSW-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(17-14-7-8-15-10-16-14)9-19-13-6-4-3-5-12(13)18-2/h3-8,10-11H,9H2,1-2H3,(H,15,16,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine?
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 97143453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).