4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

C12H20N4 — CID 80825264

IUPAC4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(C)CC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-8-11(13)14-9(2)15-12(8)16(3)7-10-5-4-6-10/h10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyPIGYBYOHUDYSCB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.91
Rot. Bonds3

About 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80825264) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80825264
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(N(C)CC2CCC2)n1
InChIInChI=1S/C12H20N4/c1-8-11(13)14-9(2)15-12(8)16(3)7-10-5-4-6-10/h10H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyPIGYBYOHUDYSCB-UHFFFAOYSA-N
XLogP1.91
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80825264) is 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(N(C)CC2CCC2)n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is PIGYBYOHUDYSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8-11(13)14-9(2)15-12(8)16(3)7-10-5-4-6-10/h10H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80825264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).