4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine

C10H18N4 — CID 80798438

IUPAC4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC(C)(C)C
InChIInChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14)
InChIKeyAZTUNUDWMRRGIW-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.83
Rot. Bonds2

About 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine

4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine (PubChem CID 80798438) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
PubChem CID80798438
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1NCC(C)(C)C
InChIInChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14)
InChIKeyAZTUNUDWMRRGIW-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine (CID 80798438) is 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1NCC(C)(C)C.
What is the InChIKey of 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine?
The InChIKey is AZTUNUDWMRRGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-5-12-9(11)14-8(7)13-6-10(2,3)4/h5H,6H2,1-4H3,(H3,11,12,13,14).
What are the key properties of 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine?
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80798438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).