5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione

C11H17N3O2 — CID 63800468

IUPAC5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-5-13-7-9(12)10(15)14(11(13)16)6-8-3-4-8/h7-8H,2-6,12H2,1H3
InChIKeyRZTCHMBJABFYSH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds4

About 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione

5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63800468) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
PubChem CID63800468
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1cc(N)c(=O)n(CC2CC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-5-13-7-9(12)10(15)14(11(13)16)6-8-3-4-8/h7-8H,2-6,12H2,1H3
InChIKeyRZTCHMBJABFYSH-UHFFFAOYSA-N
XLogP0.41
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione (CID 63800468) is 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione is CCCn1cc(N)c(=O)n(CC2CC2)c1=O.
What is the InChIKey of 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is RZTCHMBJABFYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-5-13-7-9(12)10(15)14(11(13)16)6-8-3-4-8/h7-8H,2-6,12H2,1H3.
What are the key properties of 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione?
5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63800468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).