4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine

C15H24N6 — CID 50958463

IUPAC4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCCn1ccnc1CN(C)c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C15H24N6/c1-7-21-9-8-16-13(21)10-20(6)14-11(2)12(3)17-15(18-14)19(4)5/h8-9H,7,10H2,1-6H3
InChIKeyPNLRHESBDCUXNO-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.01
Rot. Bonds5

About 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine

4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (PubChem CID 50958463) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
PubChem CID50958463
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine
SMILESCCn1ccnc1CN(C)c1nc(N(C)C)nc(C)c1C
InChIInChI=1S/C15H24N6/c1-7-21-9-8-16-13(21)10-20(6)14-11(2)12(3)17-15(18-14)19(4)5/h8-9H,7,10H2,1-6H3
InChIKeyPNLRHESBDCUXNO-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine (CID 50958463) is 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is CCn1ccnc1CN(C)c1nc(N(C)C)nc(C)c1C.
What is the InChIKey of 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
The InChIKey is PNLRHESBDCUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-7-21-9-8-16-13(21)10-20(6)14-11(2)12(3)17-15(18-14)19(4)5/h8-9H,7,10H2,1-6H3.
What are the key properties of 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine?
4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylimidazol-2-yl)methyl]-2-N,2-N,4-N,5,6-pentamethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50958463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).