6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C19H22N6O4 — CID 4670608

IUPAC6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccccc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H22N6O4/c1-22-14(20)12(16(26)24(3)18(22)28)11(10-8-6-5-7-9-10)13-15(21)23(2)19(29)25(4)17(13)27/h5-9,11H,20-21H2,1-4H3
InChIKeyPYHIELQPCATJBF-UHFFFAOYSA-N
MW398.42 g/mol
LogP-1.17
Rot. Bonds3

About 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4670608) has the molecular formula C19H22N6O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4670608
Molecular FormulaC19H22N6O4
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N)c(C(c2ccccc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C19H22N6O4/c1-22-14(20)12(16(26)24(3)18(22)28)11(10-8-6-5-7-9-10)13-15(21)23(2)19(29)25(4)17(13)27/h5-9,11H,20-21H2,1-4H3
InChIKeyPYHIELQPCATJBF-UHFFFAOYSA-N
XLogP-1.17
TPSA140.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 4670608) is 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N)c(C(c2ccccc2)c2c(N)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PYHIELQPCATJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4/c1-22-14(20)12(16(26)24(3)18(22)28)11(10-8-6-5-7-9-10)13-15(21)23(2)19(29)25(4)17(13)27/h5-9,11H,20-21H2,1-4H3.
What are the key properties of 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 398.42 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-phenylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4670608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).