N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine

C15H26N4O4 — CID 164638728

IUPACN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N[C@H]2CCOC[C@@H]2OCCN(C)C)nc(OC)n1
InChIInChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m0/s1
InChIKeyBIEUSLMDSGUDBI-RYUDHWBXSA-N
MW326.40 g/mol
LogP0.64
Rot. Bonds8

About N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine

N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine (PubChem CID 164638728) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
PubChem CID164638728
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC NameN-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N[C@H]2CCOC[C@@H]2OCCN(C)C)nc(OC)n1
InChIInChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m0/s1
InChIKeyBIEUSLMDSGUDBI-RYUDHWBXSA-N
XLogP0.64
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
2-[2-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxyethyl]guanidine;hydrochloride
CID 44577031
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(2-methoxyethylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577033
2-[3-[4-[2-(Dimethylamino)ethoxy]-6-(3-propan-2-yloxypropylamino)pyrimidin-2-yl]oxypropyl]guanidine;hydrochloride
CID 44577057
N-(2-methoxyethyl)-2,6-di(propan-2-yloxy)pyrimidin-4-amine
CID 44577415
6-ethoxy-4-N,4-N-dimethyl-2-N-(3-propan-2-yloxypropyl)pyrimidine-2,4-diamine
CID 44577416
2-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577491
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 44577492
2-(3-aminopropoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
CID 44577493
4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
CID 50972422
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
2,4-Dimethoxy-6-(piperazin-1-yl)pyrimidine
CID 18423149

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The IUPAC name of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine (CID 164638728) is N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The canonical SMILES for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine is COc1cc(N[C@H]2CCOC[C@@H]2OCCN(C)C)nc(OC)n1.
What is the InChIKey of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The InChIKey is BIEUSLMDSGUDBI-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine is sourced from PubChem (CID 164638728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).