2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

C16H21N5O — CID 82456280

IUPAC2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CC2)nc(NCc2cccnc2)c1N
InChIInChI=1S/C16H21N5O/c1-2-8-22-16-13(17)15(20-14(21-16)12-5-6-12)19-10-11-4-3-7-18-9-11/h3-4,7,9,12H,2,5-6,8,10,17H2,1H3,(H,19,20,21)
InChIKeyHVQLIWVFOBDNIA-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.73
Rot. Bonds7

About 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 82456280) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID82456280
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CC2)nc(NCc2cccnc2)c1N
InChIInChI=1S/C16H21N5O/c1-2-8-22-16-13(17)15(20-14(21-16)12-5-6-12)19-10-11-4-3-7-18-9-11/h3-4,7,9,12H,2,5-6,8,10,17H2,1H3,(H,19,20,21)
InChIKeyHVQLIWVFOBDNIA-UHFFFAOYSA-N
XLogP2.73
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
6-propoxy-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 43261223
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
2-cyclohexyl-4-N-cyclopropyl-6-propoxypyrimidine-4,5-diamine
CID 82458504
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
2-cyclohexyl-4-N-(2-methylpropyl)-6-propoxypyrimidine-4,5-diamine
CID 82458510
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
6-propoxy-2-N-(2-pyridin-3-ylethyl)pyridine-2,5-diamine
CID 60895722
2-cyclopropyl-N-ethyl-5-methyl-6-propoxypyrimidin-4-amine
CID 80988977
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 114043542

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (CID 82456280) is 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is CCCOc1nc(C2CC2)nc(NCc2cccnc2)c1N.
What is the InChIKey of 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is HVQLIWVFOBDNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-8-22-16-13(17)15(20-14(21-16)12-5-6-12)19-10-11-4-3-7-18-9-11/h3-4,7,9,12H,2,5-6,8,10,17H2,1H3,(H,19,20,21).
What are the key properties of 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-propoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82456280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).