4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine

C11H16N4O — CID 82456171

IUPAC4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C2CC2)nc(NC2CC2)c1N
InChIInChI=1S/C11H16N4O/c1-16-11-8(12)10(13-7-4-5-7)14-9(15-11)6-2-3-6/h6-7H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyMECCTWBTUWJTFX-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.52
Rot. Bonds4

About 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine

4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine (PubChem CID 82456171) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
PubChem CID82456171
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine
SMILESCOc1nc(C2CC2)nc(NC2CC2)c1N
InChIInChI=1S/C11H16N4O/c1-16-11-8(12)10(13-7-4-5-7)14-9(15-11)6-2-3-6/h6-7H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyMECCTWBTUWJTFX-UHFFFAOYSA-N
XLogP1.52
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine (CID 82456171) is 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine is COc1nc(C2CC2)nc(NC2CC2)c1N.
What is the InChIKey of 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine?
The InChIKey is MECCTWBTUWJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-11-8(12)10(13-7-4-5-7)14-9(15-11)6-2-3-6/h6-7H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine?
4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine has a molecular weight of 220.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dicyclopropyl-6-methoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82456171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).