4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine

C12H22N4 — CID 79918544

IUPAC4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCCN(c1ncncc1N)C(C)C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-16(10(2)3)12-11(13)8-14-9-15-12/h8-10H,4-7,13H2,1-3H3
InChIKeyPLMWZQQUCMTAQD-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.46
Rot. Bonds6

About 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine

4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine (PubChem CID 79918544) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine
PubChem CID79918544
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine
SMILESCCCCCN(c1ncncc1N)C(C)C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-16(10(2)3)12-11(13)8-14-9-15-12/h8-10H,4-7,13H2,1-3H3
InChIKeyPLMWZQQUCMTAQD-UHFFFAOYSA-N
XLogP2.46
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine (CID 79918544) is 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine is CCCCCN(c1ncncc1N)C(C)C.
What is the InChIKey of 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine?
The InChIKey is PLMWZQQUCMTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-5-6-7-16(10(2)3)12-11(13)8-14-9-15-12/h8-10H,4-7,13H2,1-3H3.
What are the key properties of 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine?
4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-4-N-propan-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 79918544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).