N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide

C19H26N4O3 — CID 123903397

IUPACN-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
SMILESCCCCC(CO)Nc1nc(NC(C)=O)ncc1OCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-3-4-10-16(12-24)22-18-17(11-20-19(23-18)21-14(2)25)26-13-15-8-6-5-7-9-15/h5-9,11,16,24H,3-4,10,12-13H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyVSOUNJRFQBAWHY-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.98
Rot. Bonds10

About N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide

N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide (PubChem CID 123903397) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
PubChem CID123903397
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide
SMILESCCCCC(CO)Nc1nc(NC(C)=O)ncc1OCc1ccccc1
InChIInChI=1S/C19H26N4O3/c1-3-4-10-16(12-24)22-18-17(11-20-19(23-18)21-14(2)25)26-13-15-8-6-5-7-9-15/h5-9,11,16,24H,3-4,10,12-13H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyVSOUNJRFQBAWHY-UHFFFAOYSA-N
XLogP2.98
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
2-[[5-methoxy-2-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 155429580
(3S)-3-[[2-amino-5-(quinolin-2-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol;sulfane
CID 157247821
N-[5-[1-(2-phenylethylamino)pentyl]-2-phenylmethoxyphenyl]acetamide
CID 70412672
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
3-[[2-amino-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 123278214
(1R)-1-(2-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171214274
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
benzyl 2-butylhexanoate
CID 175287311
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
(2S)-2-[[2-amino-5-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 157246122

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide (CID 123903397) is N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide is CCCCC(CO)Nc1nc(NC(C)=O)ncc1OCc1ccccc1.
What is the InChIKey of N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide?
The InChIKey is VSOUNJRFQBAWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-4-10-16(12-24)22-18-17(11-20-19(23-18)21-14(2)25)26-13-15-8-6-5-7-9-15/h5-9,11,16,24H,3-4,10,12-13H2,1-2H3,(H2,20,21,22,23,25).
What are the key properties of N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide?
N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyhexan-2-ylamino)-5-phenylmethoxypyrimidin-2-yl]acetamide is sourced from PubChem (CID 123903397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).