4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

C13H17N5O2 — CID 19144247

IUPAC4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCOCCCNc1ncnc(Oc2cccnc2)c1N
InChIInChI=1S/C13H17N5O2/c1-19-7-3-6-16-12-11(14)13(18-9-17-12)20-10-4-2-5-15-8-10/h2,4-5,8-9H,3,6-7,14H2,1H3,(H,16,17,18)
InChIKeyZSDMSXZLNVNACW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.69
Rot. Bonds7

About 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (PubChem CID 19144247) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
PubChem CID19144247
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCOCCCNc1ncnc(Oc2cccnc2)c1N
InChIInChI=1S/C13H17N5O2/c1-19-7-3-6-16-12-11(14)13(18-9-17-12)20-10-4-2-5-15-8-10/h2,4-5,8-9H,3,6-7,14H2,1H3,(H,16,17,18)
InChIKeyZSDMSXZLNVNACW-UHFFFAOYSA-N
XLogP1.69
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-hexadecyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19142465
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19141680
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
4-N-[(2-chlorophenyl)methyl]-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19153291
4-N-(1,3-benzodioxol-5-ylmethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 22542643
4-N-butyl-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 19134955
6-(4-bromophenoxy)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 22542905
methyl 4-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]oxybenzoate
CID 22542700
N'-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)benzohydrazide
CID 19150656
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (CID 19144247) is 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is COCCCNc1ncnc(Oc2cccnc2)c1N.
What is the InChIKey of 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The InChIKey is ZSDMSXZLNVNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-19-7-3-6-16-12-11(14)13(18-9-17-12)20-10-4-2-5-15-8-10/h2,4-5,8-9H,3,6-7,14H2,1H3,(H,16,17,18).
What are the key properties of 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine has a molecular weight of 275.31 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19144247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).