(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol

C16H30N4O3 — CID 130353425

IUPAC(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCC[C@H](CCO)Nc1nc(N)ncc1OCCOC(C)C
InChIInChI=1S/C16H30N4O3/c1-4-5-6-13(7-8-21)19-15-14(11-18-16(17)20-15)23-10-9-22-12(2)3/h11-13,21H,4-10H2,1-3H3,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyZPUDGOUVZGNVQW-CYBMUJFWSA-N
MW326.44 g/mol
LogP2.22
Rot. Bonds12

About (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol

(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol (PubChem CID 130353425) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
PubChem CID130353425
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol
SMILESCCCC[C@H](CCO)Nc1nc(N)ncc1OCCOC(C)C
InChIInChI=1S/C16H30N4O3/c1-4-5-6-13(7-8-21)19-15-14(11-18-16(17)20-15)23-10-9-22-12(2)3/h11-13,21H,4-10H2,1-3H3,(H3,17,18,19,20)/t13-/m1/s1
InChIKeyZPUDGOUVZGNVQW-CYBMUJFWSA-N
XLogP2.22
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol with MolForge

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Related Compounds

3-[[2-amino-5-[3-(4-ethylphenyl)propoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 135229069
(3S)-3-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol
CID 70856096
(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-4-(1-hydroxyheptan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3,5-dimethyl-1H-pyridin-4-one
CID 123296948
3-[(2-amino-5-methoxypyrimidin-4-yl)amino]heptyl N-ethylcarbamate
CID 130357948
(2S)-2-[[2-amino-5-[3-(4-methoxyphenyl)propoxy]pyrimidin-4-yl]amino]pentan-1-ol
CID 70856449
3-[(3-amino-6-chloro-1,2,4-triazin-5-yl)amino]heptan-1-ol
CID 123847940
5-methoxy-4-N-[(4S)-oct-1-en-4-yl]pyrimidine-2,4-diamine
CID 89318038
2-[[2-amino-5-[(1,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol
CID 134569163
(3R)-3-[(2-methyl-5-phenylmethoxypyrimidin-4-yl)amino]heptan-1-ol
CID 135252916
2-[[2-amino-4-(1-hydroxyhexan-3-ylamino)pyrimidin-5-yl]oxymethyl]-3-methoxy-1H-pyridin-4-one
CID 123748391

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol?
The IUPAC name of (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol (CID 130353425) is (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol.
What is the SMILES notation for (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol?
The canonical SMILES for (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol is CCCC[C@H](CCO)Nc1nc(N)ncc1OCCOC(C)C.
What is the InChIKey of (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol?
The InChIKey is ZPUDGOUVZGNVQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-4-5-6-13(7-8-21)19-15-14(11-18-16(17)20-15)23-10-9-22-12(2)3/h11-13,21H,4-10H2,1-3H3,(H3,17,18,19,20)/t13-/m1/s1.
What are the key properties of (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol?
(3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol has a molecular weight of 326.44 g/mol, XLogP of 2.22, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-amino-5-(2-propan-2-yloxyethoxy)pyrimidin-4-yl]amino]heptan-1-ol is sourced from PubChem (CID 130353425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).