6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione

C13H22N4O3 — CID 61019816

IUPAC6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-2-5-17-11(14)10(12(18)16-13(17)19)15-7-9-4-3-6-20-8-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)
InChIKeyHQRUYRBEGVTGRQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.37
Rot. Bonds5

About 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 61019816) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
PubChem CID61019816
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H22N4O3/c1-2-5-17-11(14)10(12(18)16-13(17)19)15-7-9-4-3-6-20-8-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)
InChIKeyHQRUYRBEGVTGRQ-UHFFFAOYSA-N
XLogP0.37
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione (CID 61019816) is 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCC2CCCOC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is HQRUYRBEGVTGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-2-5-17-11(14)10(12(18)16-13(17)19)15-7-9-4-3-6-20-8-9/h9,15H,2-8,14H2,1H3,(H,16,18,19).
What are the key properties of 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 282.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(oxan-3-ylmethylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61019816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).