2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one

C19H29N5O3 — CID 123296948

IUPAC2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCCCC(CCO)Nc1nc(N)ncc1OCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C19H29N5O3/c1-4-5-6-14(7-8-25)23-18-16(10-22-19(20)24-18)27-11-15-13(3)17(26)12(2)9-21-15/h9-10,14,25H,4-8,11H2,1-3H3,(H,21,26)(H3,20,22,23,24)
InChIKeyZPZQSJTZUQBKKX-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.30
Rot. Bonds10

About 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 123296948) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID123296948
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCCCC(CCO)Nc1nc(N)ncc1OCc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C19H29N5O3/c1-4-5-6-14(7-8-25)23-18-16(10-22-19(20)24-18)27-11-15-13(3)17(26)12(2)9-21-15/h9-10,14,25H,4-8,11H2,1-3H3,(H,21,26)(H3,20,22,23,24)
InChIKeyZPZQSJTZUQBKKX-UHFFFAOYSA-N
XLogP2.30
TPSA126.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one with MolForge

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Related Compounds

2-[[2-amino-4-(1-hydroxyhexan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3-methoxy-1H-pyridin-4-one
CID 123748391
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
CID 130353425
(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
3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 134569163
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
CID 130357948
(2S)-2-[(2-amino-5-phenylmethoxypyrimidin-4-yl)amino]pentan-1-ol
CID 70856450
(2S)-2-[[2-amino-5-[(3-methoxy-2,4-dimethylphenyl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol;sulfane
CID 160692279
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
CID 123847940

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one (CID 123296948) is 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one is CCCCC(CCO)Nc1nc(N)ncc1OCc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is ZPZQSJTZUQBKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-4-5-6-14(7-8-25)23-18-16(10-22-19(20)24-18)27-11-15-13(3)17(26)12(2)9-21-15/h9-10,14,25H,4-8,11H2,1-3H3,(H,21,26)(H3,20,22,23,24).
What are the key properties of 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 375.47 g/mol, XLogP of 2.30, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 123296948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).