4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

C16H31N5O3 — CID 44577448

IUPAC4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCC(C)OCCCNc1nc(OCCN)cc(OCCN(C)C)n1
InChIInChI=1S/C16H31N5O3/c1-13(2)22-9-5-7-18-16-19-14(23-10-6-17)12-15(20-16)24-11-8-21(3)4/h12-13H,5-11,17H2,1-4H3,(H,18,19,20)
InChIKeyUXPVZGOUPMHMPM-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.98
Rot. Bonds13

About 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine

4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (PubChem CID 44577448) has the molecular formula C16H31N5O3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
PubChem CID44577448
Molecular FormulaC16H31N5O3
Molecular Weight341.46 g/mol
Exact Mass341.24
IUPAC Name4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
SMILESCC(C)OCCCNc1nc(OCCN)cc(OCCN(C)C)n1
InChIInChI=1S/C16H31N5O3/c1-13(2)22-9-5-7-18-16-19-14(23-10-6-17)12-15(20-16)24-11-8-21(3)4/h12-13H,5-11,17H2,1-4H3,(H,18,19,20)
InChIKeyUXPVZGOUPMHMPM-UHFFFAOYSA-N
XLogP0.98
TPSA94.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 2,4-diamino-6-(2-(dimethylamino)ethoxy)-
CID 202116
Pyrimidine, 2,4-diamino-6-(2-(diethylamino)ethoxy)-
CID 202117
1-(4,6-Dimethoxy-2-pyrimidinyl)-3-(2-methoxyethyl)thiourea
CID 1955478
4,6-dimethoxy-N-methylpyrimidin-2-amine
CID 676475
2,6-Di-(sec-butoxy)-4-aminopyrimidine
CID 478123
2,4,6-Triisobutoxy-pyrimidine
CID 25128815
4-Isobutoxy-2,6-diisobutylamino-pyrimidine
CID 25129161
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(2-methoxyethylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577027
2-[4-[6-[2-(Dimethylamino)ethoxy]-2-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]oxybutyl]guanidine;hydrochloride
CID 44577029
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine (CID 44577448) is 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is CC(C)OCCCNc1nc(OCCN)cc(OCCN(C)C)n1.
What is the InChIKey of 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
The InChIKey is UXPVZGOUPMHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O3/c1-13(2)22-9-5-7-18-16-19-14(23-10-6-17)12-15(20-16)24-11-8-21(3)4/h12-13H,5-11,17H2,1-4H3,(H,18,19,20).
What are the key properties of 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine?
4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine has a molecular weight of 341.46 g/mol, XLogP of 0.98, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-6-[2-(dimethylamino)ethoxy]-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine is sourced from PubChem (CID 44577448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).