4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine

C15H21N5O — CID 80789824

IUPAC4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(Cc2ccco2)C2CC2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-2-7-17-13-9-14(19-15(16)18-13)20(11-5-6-11)10-12-4-3-8-21-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H3,16,17,18,19)
InChIKeyILBFYILNCBZTRP-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.64
Rot. Bonds7

About 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80789824) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80789824
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(Cc2ccco2)C2CC2)nc(N)n1
InChIInChI=1S/C15H21N5O/c1-2-7-17-13-9-14(19-15(16)18-13)20(11-5-6-11)10-12-4-3-8-21-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H3,16,17,18,19)
InChIKeyILBFYILNCBZTRP-UHFFFAOYSA-N
XLogP2.64
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80789824) is 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(Cc2ccco2)C2CC2)nc(N)n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is ILBFYILNCBZTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-7-17-13-9-14(19-15(16)18-13)20(11-5-6-11)10-12-4-3-8-21-12/h3-4,8-9,11H,2,5-7,10H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 287.37 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80789824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).