(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol

C16H22N4O2 — CID 70856450

IUPAC(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)ncc1OCc1ccccc1
InChIInChI=1S/C16H22N4O2/c1-2-6-13(10-21)19-15-14(9-18-16(17)20-15)22-11-12-7-4-3-5-8-12/h3-5,7-9,13,21H,2,6,10-11H2,1H3,(H3,17,18,19,20)/t13-/m0/s1
InChIKeyIMRKUWGKJVJVKQ-ZDUSSCGKSA-N
MW302.38 g/mol
LogP2.21
Rot. Bonds8

About (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol

(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol (PubChem CID 70856450) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
PubChem CID70856450
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
SMILESCCC[C@@H](CO)Nc1nc(N)ncc1OCc1ccccc1
InChIInChI=1S/C16H22N4O2/c1-2-6-13(10-21)19-15-14(9-18-16(17)20-15)22-11-12-7-4-3-5-8-12/h3-5,7-9,13,21H,2,6,10-11H2,1H3,(H3,17,18,19,20)/t13-/m0/s1
InChIKeyIMRKUWGKJVJVKQ-ZDUSSCGKSA-N
XLogP2.21
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol with MolForge

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Related Compounds

(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 157246122
N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
CID 123903397
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
2-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 135229115
(2S)-2-[[2-amino-5-[(3-methoxy-2,4-dimethylphenyl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 160692279
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
2-[[2-amino-4-(1-hydroxyhexan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3-methoxy-1H-pyridin-4-one
CID 123748391
2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 134569163
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 123278214
2-[(2-amino-5-fluoroquinazolin-4-yl)amino]pentan-1-ol
CID 167045236

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol?
The IUPAC name of (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol (CID 70856450) is (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol is CCC[C@@H](CO)Nc1nc(N)ncc1OCc1ccccc1.
What is the InChIKey of (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol?
The InChIKey is IMRKUWGKJVJVKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-6-13(10-21)19-15-14(9-18-16(17)20-15)22-11-12-7-4-3-5-8-12/h3-5,7-9,13,21H,2,6,10-11H2,1H3,(H3,17,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol?
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol has a molecular weight of 302.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 70856450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).