6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione

C14H24N4O2 — CID 2116181

IUPAC6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-2-8-18-12(15)11(13(19)17-14(18)20)16-9-10-6-4-3-5-7-10/h10,16H,2-9,15H2,1H3,(H,17,19,20)
InChIKeyFNGPHRRHUAUYGR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.52
Rot. Bonds5

About 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 2116181) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione
PubChem CID2116181
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O2/c1-2-8-18-12(15)11(13(19)17-14(18)20)16-9-10-6-4-3-5-7-10/h10,16H,2-9,15H2,1H3,(H,17,19,20)
InChIKeyFNGPHRRHUAUYGR-UHFFFAOYSA-N
XLogP1.52
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione (CID 2116181) is 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is FNGPHRRHUAUYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-8-18-12(15)11(13(19)17-14(18)20)16-9-10-6-4-3-5-7-10/h10,16H,2-9,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(cyclohexylmethylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2116181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).