4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine

C14H20N8 — CID 178105577

IUPAC4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine
SMILES[H]/N=C/c1c(N)nc(C)nc1N(CC)C(C)c1nccnc1N
InChIInChI=1S/C14H20N8/c1-4-22(8(2)11-13(17)19-6-5-18-11)14-10(7-15)12(16)20-9(3)21-14/h5-8,15H,4H2,1-3H3,(H2,17,19)(H2,16,20,21)/b15-7+
InChIKeyFYWPLVQQRBWTQS-VIZOYTHASA-N
MW300.37 g/mol
LogP1.32
Rot. Bonds5

About 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine

4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine (PubChem CID 178105577) has the molecular formula C14H20N8 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine
PubChem CID178105577
Molecular FormulaC14H20N8
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine
SMILES[H]/N=C/c1c(N)nc(C)nc1N(CC)C(C)c1nccnc1N
InChIInChI=1S/C14H20N8/c1-4-22(8(2)11-13(17)19-6-5-18-11)14-10(7-15)12(16)20-9(3)21-14/h5-8,15H,4H2,1-3H3,(H2,17,19)(H2,16,20,21)/b15-7+
InChIKeyFYWPLVQQRBWTQS-VIZOYTHASA-N
XLogP1.32
TPSA130.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine (CID 178105577) is 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine is [H]/N=C/c1c(N)nc(C)nc1N(CC)C(C)c1nccnc1N.
What is the InChIKey of 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is FYWPLVQQRBWTQS-VIZOYTHASA-N. The full InChI is InChI=1S/C14H20N8/c1-4-22(8(2)11-13(17)19-6-5-18-11)14-10(7-15)12(16)20-9(3)21-14/h5-8,15H,4H2,1-3H3,(H2,17,19)(H2,16,20,21)/b15-7+.
What are the key properties of 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine?
4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 300.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-aminopyrazin-2-yl)ethyl]-4-N-ethyl-5-methanimidoyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 178105577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).