6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

C16H26N4O3 — CID 2682240

IUPAC6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCC[C@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/t11-/m0/s1
InChIKeyWFUKWDRFWPVEIV-NSHDSACASA-N
MW322.41 g/mol
LogP0.45
Rot. Bonds5

About 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (PubChem CID 2682240) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
PubChem CID2682240
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)CN2CCC[C@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/t11-/m0/s1
InChIKeyWFUKWDRFWPVEIV-NSHDSACASA-N
XLogP0.45
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione (CID 2682240) is 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)CN2CCC[C@H](C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is WFUKWDRFWPVEIV-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N4O3/c1-4-7-20-14(17)13(15(22)18(3)16(20)23)12(21)10-19-8-5-6-11(2)9-19/h11H,4-10,17H2,1-3H3/t11-/m0/s1.
What are the key properties of 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[(3S)-3-methylpiperidin-1-yl]acetyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2682240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).