6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione

C10H18N4O2 — CID 2393504

IUPAC6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-3-5-6-14-8(11)7(12-4-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyPBVLBCUSOSAXLM-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.35
Rot. Bonds5

About 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione

6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione (PubChem CID 2393504) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione
PubChem CID2393504
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCC)c(=O)[nH]c1=O
InChIInChI=1S/C10H18N4O2/c1-3-5-6-14-8(11)7(12-4-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKeyPBVLBCUSOSAXLM-UHFFFAOYSA-N
XLogP0.35
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione (CID 2393504) is 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione is CCCCn1c(N)c(NCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione?
The InChIKey is PBVLBCUSOSAXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-5-6-14-8(11)7(12-4-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16).
What are the key properties of 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione?
6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-(ethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 2393504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).