6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione

C8H14N4O4 — CID 66176489

IUPAC6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O4/c1-12-6(9)5(7(15)11-8(12)16)10-2-4(14)3-13/h4,10,13-14H,2-3,9H2,1H3,(H,11,15,16)
InChIKeyXFIQCRLYFYMQFA-UHFFFAOYSA-N
MW230.22 g/mol
LogP-2.58
Rot. Bonds4

About 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione

6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione (PubChem CID 66176489) has the molecular formula C8H14N4O4 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione
PubChem CID66176489
Molecular FormulaC8H14N4O4
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione
SMILESCn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O4/c1-12-6(9)5(7(15)11-8(12)16)10-2-4(14)3-13/h4,10,13-14H,2-3,9H2,1H3,(H,11,15,16)
InChIKeyXFIQCRLYFYMQFA-UHFFFAOYSA-N
XLogP-2.58
TPSA133.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione (CID 66176489) is 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione is Cn1c(N)c(NCC(O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione?
The InChIKey is XFIQCRLYFYMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4/c1-12-6(9)5(7(15)11-8(12)16)10-2-4(14)3-13/h4,10,13-14H,2-3,9H2,1H3,(H,11,15,16).
What are the key properties of 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione?
6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of -2.58, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2,3-dihydroxypropylamino)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 66176489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).