4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

C15H21N5O3 — CID 19141680

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2cccnc2)c1N
InChIInChI=1S/C15H21N5O3/c1-21-8-6-20(7-9-22-2)14-13(16)15(19-11-18-14)23-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyJXPPGCYBOHWJKM-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.35
Rot. Bonds9

About 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (PubChem CID 19141680) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
PubChem CID19141680
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2cccnc2)c1N
InChIInChI=1S/C15H21N5O3/c1-21-8-6-20(7-9-22-2)14-13(16)15(19-11-18-14)23-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3
InChIKeyJXPPGCYBOHWJKM-UHFFFAOYSA-N
XLogP1.35
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144247
4-N,4-N-bis(2-methoxyethyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19141594
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
4-N-hexadecyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19142465
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
4-(4-chlorophenyl)sulfanyl-6-pyridin-3-yloxypyrimidin-5-amine
CID 19136647
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
4-N,4-N-bis(2-methoxyethyl)-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19141684
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (CID 19141680) is 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is COCCN(CCOC)c1ncnc(Oc2cccnc2)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The InChIKey is JXPPGCYBOHWJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-21-8-6-20(7-9-22-2)14-13(16)15(19-11-18-14)23-12-4-3-5-17-10-12/h3-5,10-11H,6-9,16H2,1-2H3.
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine has a molecular weight of 319.37 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19141680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).