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

C14H26N4O2 — CID 60648972

IUPAC6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-5-8-18-12(15)11(13(19)17-14(18)20)16-10(4)7-6-9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20)
InChIKeyVWCJACSYFCSFKY-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.77
Rot. Bonds7

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

6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 60648972) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione
PubChem CID60648972
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NC(C)CCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H26N4O2/c1-5-8-18-12(15)11(13(19)17-14(18)20)16-10(4)7-6-9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20)
InChIKeyVWCJACSYFCSFKY-UHFFFAOYSA-N
XLogP1.77
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione (CID 60648972) is 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NC(C)CCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is VWCJACSYFCSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-8-18-12(15)11(13(19)17-14(18)20)16-10(4)7-6-9(2)3/h9-10,16H,5-8,15H2,1-4H3,(H,17,19,20).
What are the key properties of 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(5-methylhexan-2-ylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 60648972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).