5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

C12H20N4O2 — CID 91152441

IUPAC5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCCc1[nH]c(=O)n(CC2CC2)c(=O)c1CCN
InChIInChI=1S/C12H20N4O2/c13-5-3-9-10(4-6-14)15-12(18)16(11(9)17)7-8-1-2-8/h8H,1-7,13-14H2,(H,15,18)
InChIKeyODWLCNWSJIFTQT-UHFFFAOYSA-N
MW252.32 g/mol
LogP-1.05
Rot. Bonds6

About 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione

5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 91152441) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID91152441
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione
SMILESNCCc1[nH]c(=O)n(CC2CC2)c(=O)c1CCN
InChIInChI=1S/C12H20N4O2/c13-5-3-9-10(4-6-14)15-12(18)16(11(9)17)7-8-1-2-8/h8H,1-7,13-14H2,(H,15,18)
InChIKeyODWLCNWSJIFTQT-UHFFFAOYSA-N
XLogP-1.05
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione (CID 91152441) is 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is NCCc1[nH]c(=O)n(CC2CC2)c(=O)c1CCN.
What is the InChIKey of 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ODWLCNWSJIFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-5-3-9-10(4-6-14)15-12(18)16(11(9)17)7-8-1-2-8/h8H,1-7,13-14H2,(H,15,18).
What are the key properties of 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione?
5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 252.32 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2-aminoethyl)-3-(cyclopropylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91152441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).