6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione

C14H24N4O3 — CID 103603390

IUPAC6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCOCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-7-18-12(15)11(13(19)17-14(18)20)16-6-3-8-21-9-10-4-5-10/h10,16H,2-9,15H2,1H3,(H,17,19,20)
InChIKeyAYKUXCTVOBCVBA-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.76
Rot. Bonds9

About 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione

6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103603390) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103603390
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCCOCC2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N4O3/c1-2-7-18-12(15)11(13(19)17-14(18)20)16-6-3-8-21-9-10-4-5-10/h10,16H,2-9,15H2,1H3,(H,17,19,20)
InChIKeyAYKUXCTVOBCVBA-UHFFFAOYSA-N
XLogP0.76
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione (CID 103603390) is 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCCOCC2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is AYKUXCTVOBCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-7-18-12(15)11(13(19)17-14(18)20)16-6-3-8-21-9-10-4-5-10/h10,16H,2-9,15H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[3-(cyclopropylmethoxy)propylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103603390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).