6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione

C16H19ClN4O3S — CID 18124463

IUPAC6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
SMILESCCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClN4O3S/c1-2-20(7-10-5-6-12(17)25-10)8-11(22)13-14(18)21(9-3-4-9)16(24)19-15(13)23/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,23,24)
InChIKeyHUAWDVATTWQXIE-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.87
Rot. Bonds7

About 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione

6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione (PubChem CID 18124463) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
PubChem CID18124463
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione
SMILESCCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccc(Cl)s1
InChIInChI=1S/C16H19ClN4O3S/c1-2-20(7-10-5-6-12(17)25-10)8-11(22)13-14(18)21(9-3-4-9)16(24)19-15(13)23/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,23,24)
InChIKeyHUAWDVATTWQXIE-UHFFFAOYSA-N
XLogP1.87
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione (CID 18124463) is 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione is CCN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)Cc1ccc(Cl)s1.
What is the InChIKey of 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
The InChIKey is HUAWDVATTWQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-2-20(7-10-5-6-12(17)25-10)8-11(22)13-14(18)21(9-3-4-9)16(24)19-15(13)23/h5-6,9H,2-4,7-8,18H2,1H3,(H,19,23,24).
What are the key properties of 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione?
6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione has a molecular weight of 382.87 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-1-cyclopropylpyrimidine-2,4-dione is sourced from PubChem (CID 18124463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).